SCHEMBL6944919

SCHEMBL6944919

CCCCCn1nc(C(=O)NCCN2CCN(CCCC)CC2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.58
CNR2 P34972 6/20 0.58
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR1A P08908 3/20 0.47
DRD2 P14416 3/20 0.47
HTR2A P28223 3/20 0.47
HTR3A P46098 1/20 0.46
SLC2A1 P11166 2/20 0.46

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
SCHEMBL6950281 0.96 CNR1 (0.56) CNR1CNR2MEN1KMT2ASMN1; SMN2
SCHEMBL6949382 0.95 CNR1 (0.57) CNR1CNR2MEN1KMT2ASMN1; SMN2
SCHEMBL6948551 0.95 CNR1 (0.53) CNR1CNR2MEN1KMT2ASMN1; SMN2
SCHEMBL6948507 0.93 CNR1 (0.51) CNR1CNR2MEN1KMT2ASMN1; SMN2
SCHEMBL6952236 0.91 CNR1 (0.54) CNR1CNR2
SCHEMBL6953804 0.91 CNR1 (0.56) CNR1CNR2MEN1KMT2ASMN1; SMN2
SCHEMBL6952257 0.90 CNR1 (0.53) CNR1CNR2KMT2ASMN1; SMN2HTR1A
SCHEMBL6955741 0.89 MEN1 (0.53) CNR1CNR2MEN1KMT2ASMN1; SMN2
SCHEMBL6955313 0.87 SMN1; SMN2 (0.51) CNR1CNR2MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL7393720 0.85 KDM4E (0.53) CNR1CNR2MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0829474-B1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN SEIFUN GROUP INC (JP) 2003-04-09 EP disclosed
US-6096746-A Indazole compound containing a monocyclic amine structure NISSHIN FLOUR MILLING CO., LTD. (JP) 2000-08-01 US disclosed
US-5945434-A TREATMENT OF GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1999-08-31 US disclosed
EP-0829474-A1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-03-18 EP disclosed