Sugi Predict

Sugi Predict / Compounds / Gantofiban

Gantofiban

Gantofiban

SCHEMBL7633249

CCOC(=O)CN1CCN(CC2CN(c3ccc(C(=N)NC(=O)OC)cc3)C(=O)O2)CC1.COC(=O)NC(=N)c1ccc(N2CC(COS(C)(=O)=O)OC2=O)cc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 7/20 0.61
▸ ITGA2B P08514 7/20 0.61
▸ PRSS1 P07477 6/20 0.40
▸ PRSS2 P07478 6/20 0.40
▸ PRSS3 P35030 6/20 0.40
▸ GRM2 Q14416 1/20 0.40
▸ F10 P00742 3/20 0.40
▸ SIGMAR1 Q99720 12/20 0.40

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
SCHEMBL7639710 0.94 ITGB3 (0.52) ITGB3ITGA2BGRM2SIGMAR1
SCHEMBL7639772 0.93 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
Gantofiban SCHEMBL6602032 0.92 ITGB3 (0.70) ITGB3ITGA2BPRSS1PRSS2PRSS3
Gantofiban SCHEMBL6600995 0.92 ITGB3 (0.70) ITGB3ITGA2BPRSS1PRSS2PRSS3
Gantofiban SCHEMBL6600994 0.92 ITGB3 (0.70) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7632999 0.92 ITGB3 (0.54) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7634892 0.91 ITGB3 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7638226 0.91 ITGB3 (0.53) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7633507 0.91 ITGB3 (0.49) ITGB3ITGA2BGRM2SIGMAR1
SCHEMBL7632243 0.91 ITGB3 (0.50) ITGB3ITGA2BPRSS1PRSS2PRSS3

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