SCHEMBL7971287

SCHEMBL7971287

CCC(CCC(C#N)(c1ccccc1C(F)(F)F)C(C)C)N(C)C(C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.39
PGR P06401 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
EBP Q15125 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
RIPK1 Q13546 1/20 0.31
CNR2 P34972 1/20 0.31
POLQ O75417 1/20 0.30
OPRK1 P41145 1/20 0.30
ALOX5 P09917 1/20 0.30
S1PR1 P21453 1/20 0.30

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
SCHEMBL7968732 0.89 L3MBTL1 (0.38) ARPGRL3MBTL1EBPSIGMAR1
SCHEMBL7971971 0.89 L3MBTL1 (0.38) ARPGRL3MBTL1EBPSIGMAR1
SCHEMBL7972161 0.87 AR (0.41) ARPGRL3MBTL1EBPSIGMAR1
SCHEMBL7965756 0.86 EBP (0.43) ARPGREBPSIGMAR1SLC6A4
SCHEMBL7969390 0.86 L3MBTL1 (0.38) ARPGRL3MBTL1EBPSIGMAR1
SCHEMBL7971426 0.84 EBP (0.39) ARPGRL3MBTL1EBPSIGMAR1
SCHEMBL7971289 0.83 SIGMAR1 (0.47) L3MBTL1EBPSIGMAR1SLC6A2SLC6A4
SCHEMBL7968543 0.82 EBP (0.36) ARPGRL3MBTL1EBPSIGMAR1
SCHEMBL7955944 0.82 EBP (0.36) ARL3MBTL1EBPSIGMAR1CYP3A4
SCHEMBL7968647 0.82 EBP (0.43) ARPGRL3MBTL1EBPSIGMAR1

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
US-6265439-B1 Halogenated phenylacetonitrile alkylaminoalkylphenyl compounds as immunosuppressives G.D. SEARLE & CO. 2001-07-24 US disclosed