SCHEMBL840456

SCHEMBL840456

CCCNC(=O)N(CCNC(=O)C(CS)CC(C)C)Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 18/20 0.41
MME P08473 13/20 0.41
PTGES O14684 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33

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
SCHEMBL840597 0.95 AGTR1 (0.43) AGTR1MMELTB4R2
SCHEMBL841279 0.95 AGTR1 (0.42) AGTR1MMELTB4R2
SCHEMBL840844 0.94 AGTR1 (0.41) AGTR1MME
SCHEMBL841138 0.94 AGTR1 (0.42) AGTR1MMELTB4R2
SCHEMBL839995 0.92 AGTR1 (0.39) AGTR1MME
SCHEMBL839949 0.91 AGTR1 (0.41) AGTR1MMELTB4R2
SCHEMBL859394 0.91 AGTR1 (0.41) AGTR1MMELTB4R2
SCHEMBL839252 0.91 AGTR1 (0.41) AGTR1MMELTB4R2
SCHEMBL839522 0.91 AGTR1 (0.38) AGTR1MMEPTGES
SCHEMBL840242 0.91 AGTR1 (0.38) AGTR1MME

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-8143298-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-03-27 US disclosed