SCHEMBL8174307

SCHEMBL8174307

CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CC#CCO

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.72
PGR P06401 1/20 0.72

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
SCHEMBL4029305 0.88 AR (0.78) ARPGR
SCHEMBL29921612 0.88 AR (0.78) ARPGR
SCHEMBL2694357 0.88 AR (0.70) ARPGR
SCHEMBL8173725 0.87 AR (0.57) ARPGR
SCHEMBL4028572 0.86 AR (0.86) ARPGR
SCHEMBL4027208 0.85 AR (0.74) ARPGR
SCHEMBL2694365 0.84 AR (0.94) ARPGR
SCHEMBL1389052 0.84 AR (0.72) ARPGR
Ru-58841 SCHEMBL29372187 0.84 AR (1.00) ARPGR
Ru-58841 SCHEMBL1461459 0.84 AR (1.00) 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
US-6087509-A DERIVATIVES OF TRIFLUOROBENZONITRILES HOECHST MARION ROUSSEL (FR) 2000-07-11 US claimed
US-6087509-A DERIVATIVES OF TRIFLUOROBENZONITRILES HOECHST MARION ROUSSEL (FR) 2000-07-11 US disclosed