SCHEMBL7403701

SCHEMBL7403701

NC(=O)c1cccc(C(=O)N(CCC(=O)O)CC2CCNCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.50
ITGA2B P08514 2/20 0.50
OPRM1 P35372 14/20 0.44
OPRD1 P41143 14/20 0.44
F2 P00734 1/20 0.42
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL9717435 0.81 MEN1 (0.45)
SCHEMBL17873695 0.76 OPRM1 (0.52) OPRM1OPRD1HDAC1HDAC6
SCHEMBL4974021 0.70 OPRM1 (0.56) ITGB3ITGA2BOPRM1OPRD1
SCHEMBL7394338 0.70 ITGB3 (0.68) ITGB3ITGA2BHDAC1HDAC6
Piperazine SCHEMBL11217213 0.69 PARP1 (0.57) OPRD1
SCHEMBL30577948 0.69 MEN1 (0.53) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6393378 0.69 OPRM1 (0.55) ITGB3ITGA2BOPRM1OPRD1
SCHEMBL7444303 0.68 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL12736064 0.68 ROCK2 (0.47) ITGB3ITGA2BOPRM1OPRD1
Benzamide SCHEMBL1567296 0.68 PARP1 (0.52) ITGB3ITGA2BOPRD1

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
WO-1994012181-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-06-09 WO disclosed