SCHEMBL3777682

SCHEMBL3777682

O=C(O)CCCN1CCNCCNCCNCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
CYP1A2 P05177 1/20 0.62
MAPK1 P28482 1/20 0.62
CXCR4 P61073 2/20 0.52
SIGMAR1 Q99720 1/20 0.44
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
GLA P06280 1/20 0.41
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1494479 0.98 SMN1; SMN2 (0.64) SMN1; SMN2CYP1A2MAPK1CXCR4SIGMAR1
SCHEMBL9937405 0.96 SMN1; SMN2 (0.62) SMN1; SMN2CYP1A2MAPK1CXCR4SIGMAR1
Hydrochloric Acid SCHEMBL27554302 0.96 SMN1; SMN2 (0.62) SMN1; SMN2CYP1A2MAPK1CXCR4SIGMAR1
SCHEMBL5865021 0.92 CYP1A2 (0.57) SMN1; SMN2CYP1A2MAPK1CXCR4SIGMAR1
SCHEMBL27793739 0.92 CYP1A2 (0.57) SMN1; SMN2CYP1A2MAPK1CXCR4SIGMAR1
SCHEMBL5015980 0.91 CYP1A2 (0.53) SMN1; SMN2CYP1A2MAPK1CXCR4SIGMAR1
SCHEMBL4961439 0.91 CXCR4 (0.68) SMN1; SMN2CYP1A2MAPK1CXCR4SIGMAR1
SCHEMBL21727957 0.90 CYP1A2 (0.55) SMN1; SMN2CYP1A2MAPK1CXCR4SIGMAR1
SCHEMBL9154884 0.90 CYP1A2 (0.55) SMN1; SMN2CYP1A2MAPK1CXCR4SIGMAR1
SCHEMBL11429662 0.90 CYP1A2 (0.55) SMN1; SMN2CYP1A2MAPK1CXCR4SIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1741450-B1 COMPOSITION FOR MEDICAL USE HAVING IMPROVED WATER-SOLUBILITY OF PEPTIDE AND METAL-LABELING EFFICIENCY AND PREPARATION FOR MEDICAL USE COMPRISING METAL-LABELED PEPTIDE NIHON MEDIPHYSICS CO LTD (JP) 2013-12-11 EP claimed
US-20070160532-A1 Composition for medical use having improved water-solubility of peptide and metal-labeling efficiency and preparation for medical use comprising metal-labeled peptide NIHON MEDI-PHYSICS CO., LTD. (JP) 2007-07-12 US claimed
EP-1741450-A1 COMPOSITION FOR MEDICAL USE HAVING IMPROVED WATER-SOLUBILITY OF PEPTIDE AND METAL-LABELING EFFICIENCY AND PREPARATION FOR MEDICAL USE COMPRISING METAL-LABELED PEPTIDE Nihon Medi-Physics Co., Ltd. (JP) 2007-01-10 EP claimed
EP-1741450-B1 COMPOSITION FOR MEDICAL USE HAVING IMPROVED WATER-SOLUBILITY OF PEPTIDE AND METAL-LABELING EFFICIENCY AND PREPARATION FOR MEDICAL USE COMPRISING METAL-LABELED PEPTIDE NIHON MEDIPHYSICS CO LTD (JP) 2013-12-11 EP disclosed
US-7854918-B2 Composition for medical use having improved water-solubility of peptide and metal-labeling efficiency and preparation for medical use comprising metal-labeled peptide NIHON MEDI-PHYSICS CO., LTD. (JP) 2010-12-21 US disclosed
EP-1548027-B1 COMPOUND BINDING TO LEUKOCYTES AND MEDICINAL COMPOSITION CONTAINING THE COMPOUND IN LABELED STATE AS THE ACTIVE INGREDIENT NIHON MEDIPHYSICS CO LTD (JP) 2008-01-02 EP disclosed
US-20070160532-A1 Composition for medical use having improved water-solubility of peptide and metal-labeling efficiency and preparation for medical use comprising metal-labeled peptide NIHON MEDI-PHYSICS CO., LTD. (JP) 2007-07-12 US disclosed
US-7220827-B2 Compound binding to leukocytes and medicinal composition containing the compound in labeled state as the active ingredient NIHON MEDI-PHYSICS CO., LTD. (JP) 2007-05-22 US disclosed
EP-1741450-A1 COMPOSITION FOR MEDICAL USE HAVING IMPROVED WATER-SOLUBILITY OF PEPTIDE AND METAL-LABELING EFFICIENCY AND PREPARATION FOR MEDICAL USE COMPRISING METAL-LABELED PEPTIDE Nihon Medi-Physics Co., Ltd. (JP) 2007-01-10 EP disclosed
US-20060057064-A1 Compound binding to leukocytes and medicinal composition containing the compound in labeled state as the active ingredient NIHON MEDI-PHYSICS CO., LTD. (JP) 2006-03-16 US disclosed
CN-1684973-A Compound binding to leukocytes and medicinal composition containing the compound in labeled state as the active ingredient NIHON MEDIPHYSICS CO LTD (JP) 2005-10-19 CN disclosed
EP-1548027-A1 COMPOUND BINDING TO LEUKOCYTES AND MEDICINAL COMPOSITION CONTAINING THE COMPOUND IN LABELED STATE AS THE ACTIVE INGREDIENT Nihon Medi-Physics Co., Ltd. (JP) 2005-06-29 EP disclosed