SCHEMBL7662919

SCHEMBL7662919

O=C(CCNC(=O)c1ccc(N2CCC(NC3=NCCN3)CC2)c(F)c1)ONS(=O)(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.65
ITGAV P06756 12/20 0.65
ITGA2B P08514 12/20 0.65
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.37
ALDH1A1 P00352 1/20 0.37
WDR5 P61964 2/20 0.36
VDR P11473 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
SCHEMBL383238 0.88 ITGB3 (0.52) ITGB3ITGAVITGA2BLMNAPKM
SCHEMBL382653 0.86 ITGB3 (0.58) ITGB3ITGAVITGA2BLMNAPKM
SCHEMBL7654735 0.83 ITGB3 (0.66) ITGB3ITGAVITGA2B
SCHEMBL382643 0.83 ITGB3 (0.52) ITGB3ITGAVITGA2BALDH1A1VDR
SCHEMBL382860 0.83 ITGB3 (0.92) ITGB3ITGAVITGA2B
SCHEMBL7469287 0.81 ITGB3 (0.45) ITGB3ITGAVITGA2BVDR
SCHEMBL7655214 0.81 KDM4E (0.48) ITGB3ITGAVITGA2BLMNAPKM
SCHEMBL382656 0.80 ITGB3 (0.63) ITGB3ITGAVITGA2BLMNAPKM
SCHEMBL27360304 0.80 ITGB3 (0.66) ITGB3ITGAVITGA2B
SCHEMBL382861 0.80 ITGB3 (0.68) ITGB3ITGAVITGA2BLMNAPKM

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
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 claimed
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