SCHEMBL8976642

SCHEMBL8976642

CCCCc1nc(Cl)c(C=O)n1Cc1ccc([C@@H]2CCCC[C@H]2c2nnn[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 1/20 0.51
AGTR1 P30556 5/20 0.49
AGTR2 P50052 4/20 0.49

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
SCHEMBL8976651 1.00 GP6 (0.51) GP6AGTR1AGTR2
SCHEMBL8976638 1.00 GP6 (0.51) GP6AGTR1AGTR2
SCHEMBL8976738 0.85 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL8976749 0.85 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL7839432 0.82 GP6 (0.51) GP6AGTR1AGTR2
SCHEMBL9422649 0.81 AGTR1 (0.57) GP6AGTR1AGTR2
SCHEMBL8976748 0.81 AGTR1 (0.59) GP6AGTR1AGTR2
SCHEMBL8976741 0.81 AGTR1 (0.59) GP6AGTR1AGTR2
SCHEMBL8119597 0.81 AGTR1 (0.59) GP6AGTR1AGTR2
SCHEMBL9152450 0.79 GP6 (0.48) GP6AGTR1AGTR2

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 2 patents. 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
EP-0581003-A1 Imidazolyl substituted cyclohexane derivatives BAYER AG (DE) 1994-02-02 EP disclosed