SCHEMBL415667

SCHEMBL415667

O=C(NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O)c1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.64
ITGA2B P08514 10/20 0.64
DRD4 P21917 8/20 0.54
ITGAV P06756 3/20 0.54
NPC1 O15118 1/20 0.53
GAA P10253 1/20 0.53
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2C P18825 1/20 0.47
HTR2A P28223 1/20 0.47
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL382075 0.89 ITGB3 (0.50) ITGB3ITGA2BDRD4ITGAVNPC1
SCHEMBL7651216 0.88 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL415668 0.84 DRD4 (0.54) ITGB3ITGA2BDRD4NPC1GAA
SCHEMBL382483 0.83 ITGB3 (0.66) ITGB3ITGA2BITGAV
SCHEMBL7655325 0.81 DRD4 (0.52) DRD4NPC1GAAKDM4ETSHR
SCHEMBL382076 0.80 DRD4 (0.51) DRD4NPC1GAAKDM4ETSHR
SCHEMBL7402105 0.79 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL383121 0.79 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL7654405 0.78 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL382426 0.78 ITGB3 (0.60) ITGB3ITGA2BITGAVNPC1KDM4E

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