SCHEMBL7640427

SCHEMBL7640427

CC(C)OC(=O)CN1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4ccc5ccccc5c4)cc3)C(=O)O2)CC1.CS(=O)(=O)OCC1CN(c2ccc(C(=N)NC(=O)c3ccc4ccccc4c3)cc2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
SIGMAR1 Q99720 14/20 0.37
GRM2 Q14416 2/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
F10 P00742 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
SCHEMBL7636802 0.93 ITGB3 (0.46) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6602415 0.93 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1GRM2F10
SCHEMBL7633208 0.93 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1GRM2ALDH1A1
SCHEMBL7634011 0.91 ITGB3 (0.53) ITGB3ITGA2BSIGMAR1GRM2F10
SCHEMBL7639286 0.91 ITGB3 (0.39) ITGB3ITGA2BSIGMAR1GRM2ALDH1A1
SCHEMBL7638248 0.90 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1GRM2ALDH1A1
SCHEMBL7639942 0.90 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7639664 0.89 ITGB3 (0.44) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7633507 0.89 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1GRM2ALDH1A1
SCHEMBL7639745 0.88 ITGB3 (0.41) ITGB3ITGA2BSIGMAR1GRM2

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