SCHEMBL667458

SCHEMBL667458

CCCc1cc(C(=O)NC(Cc2ccccc2)C(O)C(=O)O)nn1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)CCOC)cc1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 11/20 0.44
AGTR1 P30556 9/20 0.44

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
SCHEMBL667457 1.00 AGTR2 (0.44) AGTR2AGTR1
SCHEMBL994786 0.94 AGTR2 (0.42) AGTR2AGTR1
SCHEMBL994431 0.92 AGTR2 (0.45) AGTR2AGTR1
SCHEMBL653073 0.92 AGTR2 (0.45) AGTR2AGTR1
SCHEMBL650654 0.92 AGTR2 (0.43) AGTR2AGTR1
SCHEMBL652670 0.90 AGTR2 (0.42) AGTR2AGTR1
SCHEMBL656488 0.90 AGTR2 (0.50) AGTR2
SCHEMBL654796 0.89 AGTR2 (0.46) AGTR2AGTR1
SCHEMBL656868 0.89 AGTR2 (0.43) AGTR2AGTR1
SCHEMBL671768 0.89 AGTR2 (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451782-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS Theravance, Inc. (US) 2012-05-16 EP disclosed
US-8119634-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE, INC. (US) 2012-02-21 US disclosed
WO-2011005674-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-01-13 WO disclosed