SCHEMBL7633405

SCHEMBL7633405

CS(=O)(=O)OCC1CN(c2ccc(C(=N)NC(=O)c3cccc4ccccc34)cc2)C(=O)O1.N=C(NC(=O)c1cccc2ccccc12)c1ccc(N2CC(CN3CCN(CC(=O)OCc4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.44
ITGA2B P08514 8/20 0.44
BACE1 P56817 1/20 0.36
SIGMAR1 Q99720 4/20 0.36
CCR5 P51681 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GRM2 Q14416 1/20 0.34
PRSS1 P07477 7/20 0.33
PRSS2 P07478 7/20 0.33
PRSS3 P35030 7/20 0.33
F10 P00742 4/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7640334 0.93 ITGB3 (0.52) ITGB3ITGA2BBACE1SIGMAR1ALDH1A1
SCHEMBL6600621 0.93 ITGB3 (0.48) ITGB3ITGA2BBACE1SIGMAR1CCR5
SCHEMBL7640121 0.92 ITGB3 (0.46) ITGB3ITGA2BBACE1SIGMAR1GRM2
SCHEMBL7639408 0.91 ITGB3 (0.37) ITGB3ITGA2BSIGMAR1CCR5ALDH1A1
SCHEMBL7639942 0.90 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7638248 0.90 ITGB3 (0.42) ITGB3ITGA2BBACE1SIGMAR1ALDH1A1
SCHEMBL7639801 0.90 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7632243 0.90 ITGB3 (0.50) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7642004 0.89 ITGB3 (0.46) ITGB3ITGA2BSIGMAR1ALDH1A1PRSS1
SCHEMBL7632958 0.88 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1GRM2PRSS1

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