SCHEMBL1970180

SCHEMBL1970180

CCCCc1nc(C(=O)N[C@H](CC(=O)NO)Cc2ccccc2)cn1Cc1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.40
AGTR1 P30556 1/20 0.36

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
SCHEMBL1966525 1.00 MME (0.40) MMEAGTR1
SCHEMBL2392233 0.94 AGTR1 (0.40) MMEAGTR1
SCHEMBL2393563 0.94 AGTR1 (0.40) MMEAGTR1
SCHEMBL2391995 0.93 MMEL1 (0.42) MME
SCHEMBL2392002 0.93 MMEL1 (0.42) MME
SCHEMBL1968904 0.92 MME (0.36) MMEAGTR1
SCHEMBL2392484 0.88 AGTR1 (0.40) AGTR1
SCHEMBL2390851 0.88 AGTR1 (0.41) MMEAGTR1
SCHEMBL2390833 0.88 AGTR1 (0.41) MMEAGTR1
SCHEMBL2395560 0.87

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
EP-2334651-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS Theravance, Inc. (US) 2011-06-22 EP disclosed