SCHEMBL7140860

SCHEMBL7140860

COc1ccc(N)c([C@H](Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 5/20 0.43
F2 P00734 4/20 0.43
PRSS1 P07477 4/20 0.43
F10 P00742 3/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
RAB9A P51151 1/20 0.42
RPS27 P42677 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
CLK1 P49759 1/20 0.40
F3 P13726 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL7140854 1.00 F7 (0.43) F7F2PRSS1F10SLC1A3
SCHEMBL7144961 0.90 ADRB3 (0.43) F7F2PRSS1F10SLC1A3
SCHEMBL7144966 0.90 ADRB3 (0.43) F7F2PRSS1F10SLC1A3
SCHEMBL7146102 0.88 F7 (0.51) F7F2PRSS1F10SLC1A3
SCHEMBL7146106 0.88 F7 (0.51) F7F2PRSS1F10SLC1A3
SCHEMBL7147310 0.85 HPGD (0.43) F7F2PRSS1F10SLC1A3
SCHEMBL7147306 0.85 HPGD (0.43) F7F2PRSS1F10SLC1A3
SCHEMBL7150831 0.85 AKR1B1 (0.46) F7F2PRSS1F10SLC1A3
SCHEMBL7146079 0.83 F7 (0.43) F7F2PRSS1F10SLC1A3
SCHEMBL7146093 0.83 F7 (0.43) F7F2PRSS1F10SLC1A3

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