SCHEMBL7367982

SCHEMBL7367982

O=C(O)CCc1cc(Cl)c(NC(=O)CNC(=O)c2cccc(N[C@H]3CCCN3)c2)c(Br)c1O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.38
ITGAV P06756 17/20 0.38
ITGB6 P18564 12/20 0.38
ITGA2B P08514 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA5 P08648 1/20 0.33
ITGB5 P18084 1/20 0.33
ITGB8 P26012 1/20 0.33
ITGA8 P53708 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7346981 0.81 SMN1; SMN2 (0.39) ITGB3ITGAVITGB6ITGA2BLMNA
SCHEMBL7450003 0.81 ITGB3 (0.60) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL7375174 0.73 ITGB3 (0.33) ITGB3ITGAVITGB6ITGA2B
SCHEMBL7449770 0.73 ITGB3 (0.59) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL6777825 0.73 ITGB3 (0.68) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL6780815 0.72 ITGB3 (0.67) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7340034 0.70 LMNA (0.38) ITGB3ITGAVITGB6ITGA2BLMNA
SCHEMBL7345081 0.69 ITGB3 (0.40) ITGB3ITGAVITGB6ITGA2BLMNA
SCHEMBL7347208 0.69 SMN1; SMN2 (0.41) ITGB3ITGAVITGA2BLMNASMN1; SMN2
SCHEMBL7345093 0.68 HTT (0.39) ITGB3ITGAVITGB6ITGA2BLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP claimed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO claimed