SCHEMBL7936017

SCHEMBL7936017

CC(c1ccc(C#N)c(F)c1)n1cncc1C=O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 19/20 0.41
CYP11B2 P19099 19/20 0.41
CACNA1H O95180 1/20 0.35

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
SCHEMBL16731892 0.80 CYP11B1 (0.52) CYP11B1CYP11B2
SCHEMBL7505048 0.80 CYP11B1 (0.52) CYP11B1CYP11B2
SCHEMBL7714185 0.79 CYP11B1 (0.44) CYP11B1CYP11B2CACNA1H
SCHEMBL16731850 0.78 GPBAR1 (0.46) CYP11B1CYP11B2
SCHEMBL31379324 0.73 CYP2A6 (0.44) CYP11B1CYP11B2CACNA1H
SCHEMBL24966825 0.72 ALDH1A1 (0.59) CYP11B1CYP11B2
SCHEMBL7714943 0.72 CYP11B1 (0.38) CYP11B1CYP11B2
SCHEMBL7714940 0.72 CYP11B1 (0.38) CYP11B1CYP11B2CACNA1H
SCHEMBL6409767 0.71 CYP11B1 (0.64) CYP11B1CYP11B2CACNA1H
SCHEMBL104710 0.68 TRPV4 (0.52) CYP11B1CYP11B2CACNA1H

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
WO-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed