SCHEMBL382601

SCHEMBL382601

COC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 10/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
MAPT P10636 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NOS2 P35228 1/20 0.38

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
SCHEMBL382455 0.87 DRD2 (0.42) DRD2DRD3KDM4EKMT2A
SCHEMBL7473696 0.87 OPRK1 (0.42) OPRK1ALDH1A1KDM4E
SCHEMBL382924 0.81 ALDH1A1 (0.48) MAPTALDH1A1KDM4ENPC1HPGD
SCHEMBL6500965 0.81 OPRK1 (0.51) OPRK1DRD2DRD3MAPTALDH1A1
SCHEMBL7473689 0.80 ALDH1A1 (0.39) OPRK1MAPTHRH3ALDH1A1KDM4E
SCHEMBL382363 0.80 ALDH1A1 (0.46) OPRK1MAPTALDH1A1KDM4ENPC1
SCHEMBL6504216 0.79 DRD2 (0.43) OPRK1DRD2DRD3MAPTALDH1A1
SCHEMBL6507428 0.79 KDM4E (0.46) DRD2DRD3MAPTHRH3ALDH1A1
SCHEMBL382395 0.78 ALDH1A1 (0.48) OPRK1MAPTALDH1A1KDM4ENPC1
SCHEMBL381825 0.78 EPHX2 (0.36) DRD2DRD3ALDH1A1KDM4EKMT2A

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 3 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-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-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed