SCHEMBL13748488

SCHEMBL13748488

C[C@@H](O)CNc1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.50
TAS2R14 Q9NYV8 1/20 0.47
CYP2C19 P33261 1/20 0.47
ABCB11 O95342 1/20 0.47
ALB P02768 1/20 0.47
PGR P06401 1/20 0.47
ADRA2C P18825 1/20 0.47
GHSR Q92847 1/20 0.47
SLC22A12 Q96S37 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
SCHEMBL3289361 0.90 AR (0.52) ARTAS2R14CYP2C19ABCB11ALB
SCHEMBL18541017 0.89 AR (0.48) ARTAS2R14SLC22A12
SCHEMBL4903899 0.87 AR (0.52) ARTAS2R14CYP2C19SLC22A12
SCHEMBL18527626 0.86 AR (0.46) ARTAS2R14SLC22A12
SCHEMBL4901833 0.86 AR (0.48) ARTAS2R14CYP2C19ABCB11ALB
SCHEMBL18527624 0.86 AR (0.46) ARTAS2R14SLC22A12
SCHEMBL4905185 0.86 AR (0.48) ARTAS2R14CYP2C19ABCB11ALB
SCHEMBL18527944 0.86 AR (0.46) ARTAS2R14SLC22A12
SCHEMBL4903923 0.86 AR (0.48) ARTAS2R14CYP2C19ABCB11ALB
SCHEMBL18527867 0.84 TAS2R14 (0.52) ARTAS2R14SLC22A12

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-2009105214-A2 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. (US) 2009-08-27 WO disclosed