SCHEMBL9685772

SCHEMBL9685772

CCCCc1nc(Cl)c(C=O)n1Cc1ccc(C2(C(=O)O)CCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.56
AGTR2 P50052 6/20 0.56
GP6 Q9HCN6 1/20 0.49
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL9685819 0.99 AGTR1 (0.57) AGTR1AGTR2GP6MEN1KMT2A
SCHEMBL9685773 0.90 AGTR1 (0.55) AGTR1AGTR2GP6
SCHEMBL9685344 0.90 AGTR1 (0.46) AGTR1AGTR2MEN1KMT2A
SCHEMBL9685865 0.88 AGTR1 (0.51) AGTR1AGTR2GP6
SCHEMBL9422648 0.83 AGTR1 (0.52) AGTR1AGTR2GP6
SCHEMBL9685271 0.83 AGTR1 (0.49) AGTR1AGTR2GP6
SCHEMBL7828008 0.80 AGTR1 (0.64) AGTR1AGTR2GP6
SCHEMBL965839 0.79 AGTR1 (0.67) AGTR1AGTR2GP6
SCHEMBL18003201 0.79 AGTR1 (0.61) AGTR1AGTR2GP6
SCHEMBL9422539 0.78 AGTR1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0485929-A1 Substituted azoles, process for their preparation and their application HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-20 EP disclosed