SCHEMBL650895

SCHEMBL650895

CCCc1cc(C(=O)N[C@H](Cc2ccccc2Cl)[C@@H](O)C(=O)O)nn1Cc1ccc(-c2ccccc2)c(S(=O)(=O)NC(C)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.42
AGTR2 P50052 2/20 0.39
AGTR1 P30556 1/20 0.39

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
SCHEMBL994393 0.94 AGTR2 (0.44) MMEAGTR2AGTR1
SCHEMBL652670 0.86 AGTR2 (0.42) AGTR2AGTR1
SCHEMBL654994 0.85 MME (0.41) MMEAGTR2AGTR1
SCHEMBL651772 0.83 MME (0.41) MMEAGTR2AGTR1
SCHEMBL994840 0.82 AGTR2 (0.43) MMEAGTR2AGTR1
SCHEMBL653062 0.82 AGTR2 (0.43) MMEAGTR2AGTR1
SCHEMBL656488 0.81 AGTR2 (0.50) AGTR2
SCHEMBL652337 0.81 MME (0.40) MMEAGTR2AGTR1
SCHEMBL652827 0.81 AGTR2 (0.43) AGTR2AGTR1
SCHEMBL653073 0.80 AGTR2 (0.45) AGTR2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119634-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE, INC. (US) 2012-02-21 US disclosed