SCHEMBL5176077

SCHEMBL5176077

CCC(C)N(CC)c1ccc(C#N)c(C(F)(F)F)c1.CCC(C)Nc1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.47
PGR P06401 1/20 0.47
TAS2R14 Q9NYV8 1/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
RORC P51449 1/20 0.37

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
SCHEMBL5175018 1.00 AR (0.47) ARPGRTAS2R14UBE2MDCUN1D1
SCHEMBL4898593 0.89 AR (0.56) ARPGR
SCHEMBL4903290 0.89 AR (0.56) ARPGR
SCHEMBL4898603 0.89 AR (0.56) ARPGR
SCHEMBL4898542 0.86 AR (0.50) ARTAS2R14RORC
SCHEMBL4898546 0.86 AR (0.50) ARTAS2R14RORC
SCHEMBL4905143 0.86 AR (0.50) ARTAS2R14RORC
SCHEMBL5185000 0.83 AR (0.43) ARPGRTAS2R14
SCHEMBL3060299 0.79 AR (0.54) ARPGR
SCHEMBL4896538 0.79 AR (0.54) ARPGR

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