SCHEMBL9428665

SCHEMBL9428665

CCCCc1[nH]nnc1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.55
AGTR2 P50052 3/20 0.55
BRS3 P32247 3/20 0.54

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
SCHEMBL3906504 0.78 BRS3 (0.70) AGTR1AGTR2BRS3
SCHEMBL8979747 0.78 BRS3 (0.54) AGTR1AGTR2BRS3
SCHEMBL9317027 0.78 BRS3 (0.53) AGTR1AGTR2BRS3
SCHEMBL9552678 0.76 BRS3 (0.57) AGTR1AGTR2BRS3
SCHEMBL8060271 0.76 BRS3 (0.59) AGTR1AGTR2BRS3
SCHEMBL8504852 0.75 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9249294 0.75 AGTR1 (0.59) AGTR1AGTR2BRS3
SCHEMBL9198419 0.75 BRS3 (0.53) AGTR1AGTR2BRS3
SCHEMBL8979770 0.74 AGTR1 (0.56) AGTR1AGTR2BRS3
SCHEMBL9654571 0.74 AGTR1 (0.56) AGTR1AGTR2

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-5315013-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-05-24 US disclosed