SCHEMBL382771

SCHEMBL382771

O=C(O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
ITGB3 P05106 2/20 0.44
ITGAV P06756 2/20 0.44
ITGA2B P08514 2/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP30 Q70CQ3 3/20 0.44
TSHR P16473 3/20 0.44
NPC1 O15118 2/20 0.44
ALOX15 P16050 2/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
NR4A1 P22736 1/20 0.43
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL6509087 0.91 TTR (0.50) GAAHSD17B10KDM4EPOLBNR4A1
SCHEMBL382924 0.88 ALDH1A1 (0.48) GAAHPGDSMN1; SMN2TSHRNPC1
SCHEMBL382765 0.87 EPHX2 (0.48) GAAITGB3ITGAVITGA2BHSD17B10
SCHEMBL7462642 0.87 MEN1 (0.41) HPGDSMN1; SMN2USP30TSHRNPC1
SCHEMBL7469825 0.87 MEN1 (0.41) HPGDSMN1; SMN2USP30TSHRNPC1
SCHEMBL383021 0.83 DRD2 (0.49) GAAITGB3ITGAVITGA2BUSP30
SCHEMBL6798758 0.83 ITGB3 (0.53) GAAITGB3ITGAVITGA2BHPGD
SCHEMBL6798772 0.83 ITGB3 (0.44) GAAITGB3ITGAVITGA2BHPGD
SCHEMBL382678 0.82 ITGB3 (0.44) GAAITGB3ITGAVITGA2BHPGD
SCHEMBL382676 0.82 ITGB3 (0.52) GAAITGB3ITGAVITGA2BHPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed
US-6750219-B1 HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISTIC ACTIVITY, GP IIB/IIIA ANTAGONISTIC ACTIVITY, AND/OR HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY AND ALSO HAVING EXCELLENT WATER SOLUBILITY MEIJI SEIKA KAISHA, LTD. (JP) 2004-06-15 US disclosed
CN-1140511-C As integrin alphavβ3Aminopiperidine derivatives as antagonists �����Ƹ���ʽ���� 2004-03-03 CN disclosed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US disclosed
EP-1209152-A1 OMEGA-AMINO-ALPHA-HYDROXYCARBOXYLIC ACID DERIVATIVES HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-05-29 EP disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed