SCHEMBL8976741

SCHEMBL8976741

CCCCc1nc(Cl)c(C=O)n1Cc1ccc([C@@H]2CCCC[C@H]2C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.59
AGTR2 P50052 5/20 0.59
GP6 Q9HCN6 1/20 0.47
TBXA2R P21731 1/20 0.45

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
SCHEMBL8976748 1.00 AGTR1 (0.59) AGTR1AGTR2GP6TBXA2R
SCHEMBL8119597 1.00 AGTR1 (0.59) AGTR1AGTR2GP6TBXA2R
SCHEMBL9422538 0.88 AGTR1 (0.50) AGTR1AGTR2GP6
SCHEMBL9422649 0.87 AGTR1 (0.57) AGTR1AGTR2GP6
SCHEMBL8977019 0.87 AGTR2 (0.50) AGTR1AGTR2
SCHEMBL8977027 0.87 AGTR2 (0.50) AGTR1AGTR2
SCHEMBL8977025 0.87 AGTR2 (0.50) AGTR1AGTR2
SCHEMBL8119600 0.86 AGTR1 (0.54) AGTR1AGTR2GP6
SCHEMBL8976795 0.86 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL8976799 0.86 AGTR1 (0.59) 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-5508299-A ANGIOTENSIN CONVERTING ENZYME INHIBITOR, ARTERIAL HYPOTENSIVE AGENT; CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed