SCHEMBL382573

SCHEMBL382573

CC(C)(C)[C@@](CNC(=O)c1ccc(N2CCC(Nc3nc4ccccc4[nH]3)CC2)cc1)(NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.43
ITGAV P06756 4/20 0.43
ITGA2B P08514 3/20 0.43
MAPK1 P28482 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 3/20 0.38
TSHR P16473 1/20 0.38
KCNH2 Q12809 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
SFRP1 Q8N474 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL460325 0.90 ITGB3 (0.43) ITGB3ITGAVITGA2BKCNH2MAPT
SCHEMBL383161 0.84 ITGB3 (0.47) ITGB3ITGAVITGA2BMAPTTDP1
SCHEMBL382571 0.84 ITGB3 (0.42) ITGB3ITGAVITGA2BMAPK1MEN1
SCHEMBL382076 0.84 DRD4 (0.51) KDM4ETSHRSMN1; SMN2GAAALDH1A1
SCHEMBL382483 0.80 ITGB3 (0.66) ITGB3ITGAVITGA2B
SCHEMBL383585 0.80 ITGB3 (0.64) ITGB3ITGAVITGA2BMAPTTDP1
SCHEMBL383469 0.79 CCR5 (0.42) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL7656383 0.79 ITGB3 (0.44) ITGB3ITGAVITGA2BMAPK1MEN1
SCHEMBL382570 0.78 SMN1; SMN2 (0.41) ITGB3ITGAVITGA2BMAPK1MEN1
SCHEMBL382991 0.77 ITGB3 (0.47) ITGB3ITGAVITGA2BMAPK1MEN1

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