SCHEMBL383059

SCHEMBL383059

CC(C)(C)OC(=O)CC(NC(=O)c1ccc(N2CCC(N)CC2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.43
ITGA2B P08514 3/20 0.43
ITGAV P06756 2/20 0.42
GPR119 Q8TDV5 4/20 0.38
TGFBR1 P36897 3/20 0.38
SMYD3 Q9H7B4 1/20 0.37
SFRP1 Q8N474 1/20 0.37
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
LIMK2 P53671 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL7664593 0.83 CCR5 (0.44) ITGB3ITGA2BITGAVTGFBR1SFRP1
SCHEMBL383058 0.81 ITGB3 (0.58) ITGB3ITGA2BITGAV
SCHEMBL7658155 0.81 MEN1 (0.51) ITGB3ITGA2BGPR119TGFBR1USP2
SCHEMBL382798 0.76 NR1H2 (0.38) ITGB3ITGA2BITGAVGPR119USP2
SCHEMBL7651526 0.76 ITGB3 (0.45) ITGB3ITGA2BITGAVSMYD3SFRP1
SCHEMBL383114 0.74 MAPT (0.39) ITGB3ITGA2BITGAVGPR119LMNA
SCHEMBL7377408 0.74 ABCB1 (0.41) ITGB3ITGA2BLMNAALDH1A1BCL2
SCHEMBL27551456 0.73 ITGB3 (0.51) ITGB3ITGA2BITGAVSFRP1MEN1
SCHEMBL382764 0.73 ITGB3 (0.51) ITGB3ITGA2BITGAVSFRP1MEN1
SCHEMBL7651979 0.73 ITGB3 (0.47) ITGB3ITGA2BITGAVUSP2LMNA

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