SCHEMBL415668

SCHEMBL415668

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 15/20 0.54
NPC1 O15118 1/20 0.53
GAA P10253 1/20 0.53
HTR1A P08908 1/20 0.47
ADRA2C P18825 1/20 0.47
HTR2A P28223 1/20 0.47
DRD2 P14416 3/20 0.45
DRD3 P35462 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
SCHEMBL7651229 0.89 TP53 (0.46) GAAKDM4ETSHRITGB3ITGA2B
SCHEMBL415667 0.84 ITGB3 (0.64) DRD4NPC1GAAHTR1AADRA2C
SCHEMBL382991 0.83 ITGB3 (0.47) NPC1GAAKDM4EALDH1A1ITGB3
SCHEMBL382074 0.80 DRD4 (0.51) DRD4NPC1GAAHTR1AADRA2C
SCHEMBL383120 0.79 ITGB3 (0.43) NPC1GAAKDM4EALDH1A1TSHR
SCHEMBL7654428 0.78 ITGB3 (0.48) NPC1GAAKDM4EALDH1A1TSHR
SCHEMBL382427 0.78 ITGB3 (0.43) DRD4NPC1GAAKDM4EALDH1A1
SCHEMBL7655325 0.78 DRD4 (0.52) DRD4NPC1GAAHTR1AADRA2C
SCHEMBL383213 0.78 DRD4 (0.77) DRD4NPC1GAAHTR1AADRA2C
SCHEMBL382319 0.77 MAPT (0.47) NPC1GAAKDM4EALDH1A1TDP1

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