SCHEMBL5175281

SCHEMBL5175281

CCC(C)Nc1ccc(C#N)c(C(F)(F)F)c1.N#Cc1cccc(F)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
RORC P51449 1/20 0.40
PGR P06401 1/20 0.40

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
SCHEMBL4898542 0.87 AR (0.50) ARTAS2R14SLC22A12RORC
SCHEMBL4905143 0.87 AR (0.50) ARTAS2R14SLC22A12RORC
SCHEMBL4898546 0.87 AR (0.50) ARTAS2R14SLC22A12RORC
SCHEMBL5185000 0.82 AR (0.43) ARTAS2R14SLC22A12PGR
SCHEMBL5175028 0.79 AR (0.42) ARTAS2R14SLC22A12RORC
SCHEMBL5120802 0.76 AR (0.49) ARTAS2R14SLC22A12PGR
SCHEMBL24632242 0.76 AR (0.49) ARTAS2R14SLC22A12
SCHEMBL5175018 0.75 AR (0.47) ARTAS2R14RORCPGR
SCHEMBL5176077 0.75 AR (0.47) ARTAS2R14RORCPGR
SCHEMBL3289362 0.74 AR (0.55) ARTAS2R14SLC22A12PGR

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-1747193-A1 BENZONITRILE DERIVATIVES TO TREAT MUSCULOSKELETAL FRAILTY Pfizer Products Incorporated (US) 2007-01-31 EP disclosed
WO-2005108351-A1 BENZONITRILE DERIVATIVES TO TREAT MUSCULOSKELETAL FRAILTY PFIZER PRODUCTS INC. (US) 2005-11-17 WO disclosed