SCHEMBL9566049

SCHEMBL9566049

CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccco2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.82
PTGER4 P35408 1/20 0.79
PTGER3 P43115 1/20 0.79

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
SCHEMBL9566143 0.90 AGTR1 (0.82) AGTR1
SCHEMBL9565903 0.90 AGTR1 (0.82) AGTR1PTGER4PTGER3
L-159913 SCHEMBL9144158 0.90 AGTR1 (1.00) AGTR1
SCHEMBL9565941 0.90 AGTR1 (0.86) AGTR1PTGER4PTGER3
SCHEMBL9565894 0.90 AGTR1 (0.79) AGTR1
SCHEMBL3491542 0.90 AGTR1 (0.79) AGTR1
SCHEMBL9145126 0.90 AGTR1 (0.79) AGTR1
SCHEMBL9566047 0.90 AGTR1 (0.81) AGTR1PTGER4PTGER3
SCHEMBL9566023 0.89 AGTR1 (0.84) AGTR1
SCHEMBL9565990 0.89 AGTR1 (0.84) AGTR1PTGER4PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526001-A1 Substituted triazolinones MERCK & CO. INC. (US) 1993-02-03 EP disclosed
WO-1993001177-A1 SUBSTITUTED TRIAZOLINONES MERCK & CO., INC. (US) 1993-01-21 WO disclosed