SCHEMBL7401425

SCHEMBL7401425

CCOC(=O)CCNC(=O)CN1CCCN(c2ccc(C(=N)N)cc2)C1=O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.58
ITGA2B P08514 12/20 0.58
PRSS1 P07477 7/20 0.42
PRSS2 P07478 6/20 0.42
PRSS3 P35030 6/20 0.42
F10 P00742 8/20 0.41
F2 P00734 4/20 0.41
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7398279 0.94 ITGB3 (0.62) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7397288 0.86 ITGB3 (0.53) ITGB3ITGA2BPRSS1F10F2
SCHEMBL7280220 0.82 ITGB3 (0.50) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7399049 0.82 ITGB3 (0.48) ITGB3ITGA2BPRSS1F10F2
Hydrochloric Acid SCHEMBL7273435 0.82 ITGB3 (0.49) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7405707 0.80 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL7402530 0.80 LMNA (0.46) ITGB3ITGA2BPRSS1F10F2
SCHEMBL7418954 0.80 ITGB3 (0.66) ITGB3ITGA2BPRSS1PRSS2PRSS3
Acetic Acid SCHEMBL7664080 0.79 ITGB3 (0.56) ITGB3ITGA2BPRSS1PRSS2PRSS3
Acetic Acid SCHEMBL7698285 0.79 ITGB3 (0.54) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 EP claimed
EP-0715623-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP claimed
US-5489594-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-02-06 US claimed
WO-1995006038-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO claimed
EP-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 EP disclosed
EP-0715623-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP disclosed
US-5489594-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-02-06 US disclosed
US-5430043-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-07-04 US disclosed
WO-1995006038-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed