SCHEMBL7354037

SCHEMBL7354037

CC(C)OC(=O)C[C@@H](CS(=O)(=O)c1ccccn1)NC(=O)CCCCc1ccc(C(=N)N)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.51
ITGA2B P08514 9/20 0.51
F2 P00734 6/20 0.42
F10 P00742 4/20 0.42
PRSS1 P07477 3/20 0.42
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
PLA2G2A P14555 1/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 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
SCHEMBL7352921 0.90 ITGB3 (0.51) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7348253 0.88 ITGB3 (0.66) ITGB3ITGA2BPRSS1PLA2G2A
SCHEMBL7354459 0.85 ITGB3 (0.48) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7354033 0.82 ITGB3 (0.47) ITGB3ITGA2BF2F10PRSS1
SCHEMBL8971449 0.77 ITGB3 (0.57) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7354525 0.76 ITGB3 (0.46) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7354534 0.76 ITGB3 (0.47) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7348953 0.75 ITGB3 (0.73) ITGB3ITGA2BPRSS1PLA2G2A
SCHEMBL7348280 0.74 ITGB3 (0.46) ITGB3ITGA2BPLA2G2AALDH1A1
SCHEMBL7388152 0.73 ITGB3 (0.56) ITGB3ITGA2BF2F10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5409939-A Phenyl amidine thio derivatives useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-04-25 US claimed
WO-1994018162-A1 PHENYL AMIDINE THIO DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-08-18 WO claimed
US-5543425-A ANTIAGGLOMERANTS G. D. SEARLE & CO. (US) 1996-08-06 US disclosed
US-5409939-A Phenyl amidine thio derivatives useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-04-25 US disclosed
WO-1994018162-A1 PHENYL AMIDINE THIO DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-08-18 WO disclosed