SCHEMBL7305813

SCHEMBL7305813

CCCCN(C(=O)c1ccc2c(c1)CC(CC(=O)O)CC2)c1ccc(NC(=N)N)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.54
ITGA2B P08514 13/20 0.54
ALDH1A1 P00352 2/20 0.43
ADRB2 P07550 1/20 0.43
DGAT1 O75907 1/20 0.42
MAPT P10636 1/20 0.39
CFTR P13569 2/20 0.38
MCHR1 Q99705 2/20 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
SCHEMBL7304811 0.91 ITGB3 (0.58) ITGB3ITGA2BDGAT1MCHR1
SCHEMBL7302130 0.90 ITGB3 (0.56) ITGB3ITGA2BALDH1A1MAPT
SCHEMBL7309674 0.87 ITGB3 (0.61) ITGB3ITGA2BDGAT1MCHR1
SCHEMBL7309570 0.85 ITGB3 (0.56) ITGB3ITGA2BALDH1A1MAPT
SCHEMBL7299972 0.85 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL7299162 0.83 ITGB3 (0.61) ITGB3ITGA2BDGAT1MCHR1
SCHEMBL7308797 0.81 ITGB3 (0.60) ITGB3ITGA2B
SCHEMBL7306072 0.81 ITGB3 (0.77) ITGB3ITGA2BDGAT1MCHR1
SCHEMBL7301389 0.79 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL7300021 0.78 ITGB3 (0.86) ITGB3ITGA2BDGAT1MCHR1

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-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed