SCHEMBL8636030

SCHEMBL8636030

CCCCc1nc(Cl)c(C=O)n1CC1CCC(C(C(=O)O)c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.48
AGTR2 P50052 4/20 0.48
GP6 Q9HCN6 1/20 0.40
MME P08473 1/20 0.37

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
SCHEMBL8635299 0.90 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL8639183 0.88 AGTR2 (0.42) AGTR1AGTR2MME
SCHEMBL8636228 0.85 AGTR2 (0.40) AGTR1AGTR2GP6MME
SCHEMBL8636064 0.80 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL7839994 0.79 AGTR1 (0.56) AGTR1AGTR2GP6
SCHEMBL9092277 0.79 AGTR1 (0.56) AGTR1AGTR2GP6
SCHEMBL29183330 0.78 AGTR1 (0.47) AGTR1AGTR2GP6
SCHEMBL9010371 0.78 AGTR1 (0.49) AGTR1AGTR2GP6
SCHEMBL8634862 0.78 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9010412 0.77 AGTR1 (0.48) AGTR1AGTR2GP6

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-5776964-A HYPOTENSIVE AGENTS; ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1998-07-07 US disclosed