SCHEMBL7639748

SCHEMBL7639748

COC(=O)NC(=N)c1ccc(N2CC(CN3CCN(C(C)C(=O)OCc4ccccc4)CC3)OC2=O)cc1.COC(=O)NC(=N)c1ccc(N2CC(COS(C)(=O)=O)OC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
SIGMAR1 Q99720 12/20 0.40
GRM2 Q14416 4/20 0.35
HTR2B P41595 1/20 0.35
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34

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
SCHEMBL7637785 0.97 ITGB3 (0.41) ITGB3ITGA2BSIGMAR1GRM2HTR2B
SCHEMBL7639345 0.95 ITGB3 (0.40) ITGB3ITGA2BSIGMAR1GRM2HTR2B
SCHEMBL7639673 0.95 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1GRM2HTR2B
SCHEMBL7632358 0.94 ITGB3 (0.44) ITGB3ITGA2BSIGMAR1GRM2HTR2B
SCHEMBL7631923 0.93 ITGB3 (0.41) ITGB3ITGA2BSIGMAR1GRM2HTR2B
SCHEMBL6605992 0.93 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1GRM2HTR2B
SCHEMBL7638626 0.93 ITGB3 (0.40) ITGB3ITGA2BSIGMAR1GRM2HTR2B
SCHEMBL7641745 0.93 ITGB3 (0.40) ITGB3ITGA2BSIGMAR1GRM2HTR2B
SCHEMBL7633684 0.92 ITGB3 (0.38) ITGB3ITGA2BSIGMAR1GRM2HTR2B
SCHEMBL7639358 0.92 ITGB3 (0.37) ITGB3ITGA2BSIGMAR1GRM2HTR2B

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
US-6455529-B1 OXAZOLIDIN-2-ONE DERIVATIVES; ANTICOAGULANTS; ANTIMETASTASIS, ANTICARCINOGENIC, ANTIISCHEMIC, AND ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS, ARTERIOSCLEROSIS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-09-24 US disclosed