SCHEMBL7146001

SCHEMBL7146001

Cc1cc([C@H](Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)cc(C)c1OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F7 P08709 13/20 0.70
PRSS1 P07477 11/20 0.70
F2 P00734 11/20 0.70
F10 P00742 11/20 0.70
F3 P13726 4/20 0.55
PRSS2 P07478 3/20 0.55
PRSS3 P35030 3/20 0.55
MRGPRX1 Q96LB2 1/20 0.47

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
SCHEMBL7145997 1.00 F7 (0.70) F7PRSS1F2F10F3
Hydrochloric Acid SCHEMBL7147991 0.87 F7 (0.70) F7PRSS1F2F10F3
Hydrochloric Acid SCHEMBL8120588 0.87 F7 (0.70) F7PRSS1F2F10F3
Hydrochloric Acid SCHEMBL7152074 0.87 F7 (0.70) F7PRSS1F2F10F3
Hydrochloric Acid SCHEMBL7151721 0.84 F7 (0.74) F7PRSS1F2F10F3
Hydrochloric Acid SCHEMBL7149357 0.84 F7 (0.72) F7PRSS1F2F10F3
Hydrochloric Acid SCHEMBL8113471 0.84 F7 (0.72) F7PRSS1F2F10F3
Hydrochloric Acid SCHEMBL8127290 0.84 F7 (0.74) F7PRSS1F2F10F3
Hydrochloric Acid SCHEMBL8113465 0.84 F7 (0.72) F7PRSS1F2F10F3
Hydrochloric Acid SCHEMBL8127286 0.84 F7 (0.74) F7PRSS1F2F10F3

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 disclosed
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
EP-0921116-A1 N-(4-carbamimido-phenyl)-glycine amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 EP disclosed