SCHEMBL7143101

SCHEMBL7143101

COc1cc(OC)cc([C@H](Nc2ccc(C(=N)N)cc2)C(=O)NC(C(=O)O)c2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F7 P08709 19/20 0.66
F10 P00742 18/20 0.66
PRSS1 P07477 18/20 0.66
F2 P00734 16/20 0.66
F3 P13726 15/20 0.61
PRSS2 P07478 14/20 0.61
PRSS3 P35030 14/20 0.61
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL7149317 1.00 F7 (0.66) F7F10PRSS1F2F3
SCHEMBL7142598 1.00 F7 (0.66) F7F10PRSS1F2F3
SCHEMBL8127614 1.00 F7 (0.66) F7F10PRSS1F2F3
Acetic Acid SCHEMBL8127813 0.98 F7 (0.64) F7F10PRSS1F2F3
Acetic Acid SCHEMBL8122660 0.98 F7 (0.64) F7F10PRSS1F2F3
SCHEMBL8127817 0.89 F7 (0.56) F7F10PRSS1F2F3
SCHEMBL8122670 0.89 F7 (0.56) F7F10PRSS1F2F3
Hydrochloric Acid SCHEMBL5882998 0.87 F7 (0.74) F7F10PRSS1F2F3
Hydrochloric Acid SCHEMBL7149378 0.82 F2 (0.68) F7F10PRSS1F2F3
Hydrochloric Acid SCHEMBL8128859 0.82 F2 (0.68) F7F10PRSS1F2F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921116-B1 N-(4-carbamimido-phenyl)-glycine amide derivatives HOFFMANN LA ROCHE (CH) 2003-06-18 EP claimed
US-6140353-A USED AS MEDICAMENTS FOR THE TREATMENT AND/OR PREVENTION OF THROMBOSES, APOPLEXY, CARDIAC INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS OR AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-10-31 US claimed
US-6140353-A USED AS MEDICAMENTS FOR THE TREATMENT AND/OR PREVENTION OF THROMBOSES, APOPLEXY, CARDIAC INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS OR AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-10-31 US disclosed