SCHEMBL7379446

SCHEMBL7379446

C[C@H](CNC(=O)Nc1ccc(C(=N)N)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F7 P08709 16/20 0.58
F2 P00734 9/20 0.58
F10 P00742 2/20 0.53
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
TMPRSS6 Q8IU80 1/20 0.51
ST14 Q9Y5Y6 1/20 0.51
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50

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
SCHEMBL7390988 1.00 F7 (0.58) F7F2F10PRSS1PRSS2
SCHEMBL7347363 0.85 ITGB3 (0.64) F7F2ITGB3ITGA2B
SCHEMBL15329776 0.84 NPC1 (0.57)
SCHEMBL19473725 0.80 FPR2 (0.57)
SCHEMBL13714709 0.79 F2 (0.61) F7F2F10PRSS1PRSS2
SCHEMBL4426386 0.78 F7 (0.64) F7F2F10PRSS1PRSS2
SCHEMBL9385559 0.77 ITGB3 (0.52) F2F10PRSS1ST14ITGB3
SCHEMBL4553738 0.77 F2 (0.77) F7F2F10PRSS1PRSS2
SCHEMBL7385468 0.76 MAPT (0.55)
SCHEMBL9394421 0.76 CASR (0.47) F7F2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624956-A Urea derivatives useful as platelet aggregation inhibitors THE MONSANTO COMPANY (US) 1997-04-29 US disclosed
US-5475025-A Urea derivatives useful as platelet aggregation inhibitors THE MONSANTO COMPANY (US) 1995-12-12 US disclosed
WO-1994017041-A1 AMIDINOPHENYL SUBSTITUTED UREA, THIOUREA OR GUANIDINO DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-08-04 WO disclosed
US-5314902-A Thioureas and guanidine compounds, anticoagulants MONSANTO COMPANY (US) 1994-05-24 US disclosed