SCHEMBL382073

SCHEMBL382073

CC(C)(C)N(OC(=O)CCNC(=O)c1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 12/20 0.49
GAA P10253 2/20 0.48
NPC1 O15118 1/20 0.48
HTR1A P08908 1/20 0.44
ADRA2C P18825 1/20 0.44
HTR2A P28223 1/20 0.44
DRD2 P14416 2/20 0.43
DRD3 P35462 1/20 0.43
KDM4E B2RXH2 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
THRB P10828 1/20 0.42
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CACNA1G O43497 1/20 0.40

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
SCHEMBL382570 0.84 SMN1; SMN2 (0.41) GAANPC1KDM4ETSHRALDH1A1
SCHEMBL7655325 0.84 DRD4 (0.52) DRD4GAANPC1HTR1AADRA2C
SCHEMBL382076 0.77 DRD4 (0.51) DRD4GAANPC1HTR1AADRA2C
SCHEMBL460322 0.77 ITGB3 (0.40) NPC1HTR1AADRA2CHTR2ADRD3
SCHEMBL383158 0.75 ITGB3 (0.44) GAANPC1DRD2DRD3KDM4E
SCHEMBL415667 0.75 ITGB3 (0.64) DRD4GAANPC1HTR1AADRA2C
SCHEMBL383466 0.74 CCR5 (0.46) DRD2ALDH1A1
SCHEMBL382074 0.74 DRD4 (0.51) DRD4GAANPC1HTR1AADRA2C
SCHEMBL383213 0.73 DRD4 (0.77) DRD4GAANPC1HTR1AADRA2C
SCHEMBL6500365 0.73 KDM4E (0.48) DRD4HTR1AADRA2CHTR2ADRD3

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 1 patent. 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