SCHEMBL8119600

SCHEMBL8119600

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

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.54
AGTR2 P50052 6/20 0.54
GP6 Q9HCN6 1/20 0.46

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
SCHEMBL8121143 0.89 AGTR1 (0.49) AGTR1AGTR2GP6
SCHEMBL8976741 0.86 AGTR1 (0.59) AGTR1AGTR2GP6
SCHEMBL8976748 0.86 AGTR1 (0.59) AGTR1AGTR2GP6
SCHEMBL8119597 0.86 AGTR1 (0.59) AGTR1AGTR2GP6
SCHEMBL9422649 0.85 AGTR1 (0.57) AGTR1AGTR2GP6
SCHEMBL8131016 0.84 AGTR2 (0.44) AGTR1AGTR2GP6
SCHEMBL9422538 0.82 AGTR1 (0.50) AGTR1AGTR2GP6
SCHEMBL7839994 0.79 AGTR1 (0.56) AGTR1AGTR2GP6
SCHEMBL8976642 0.79 GP6 (0.51) AGTR1AGTR2GP6
SCHEMBL8976651 0.79 GP6 (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0581003-B1 Imidazolyl substituted cyclohexane derivatives BAYER AG (DE) 2000-09-06 EP disclosed
EP-0581003-A1 Imidazolyl substituted cyclohexane derivatives BAYER AG (DE) 1994-02-02 EP disclosed