SCHEMBL7972161

SCHEMBL7972161

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.41
PGR P06401 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
EBP Q15125 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
RIPK1 Q13546 1/20 0.33
MAOB P27338 1/20 0.33
CNR2 P34972 1/20 0.32
POLQ O75417 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX5 P09917 1/20 0.32
OPRK1 P41145 1/20 0.32
ACP3 P15309 1/20 0.32

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
SCHEMBL7969791 0.88 L3MBTL1 (0.40) ARPGRL3MBTL1EBPSIGMAR1
SCHEMBL7956093 0.88 L3MBTL1 (0.40) ARPGRL3MBTL1EBPSIGMAR1
SCHEMBL7971287 0.87 AR (0.39) ARPGRL3MBTL1EBPSIGMAR1
SCHEMBL7972074 0.85 SIGMAR1 (0.46) ARPGREBPSIGMAR1CYP3A4
SCHEMBL7969206 0.85 L3MBTL1 (0.40) ARPGRL3MBTL1EBPSIGMAR1
SCHEMBL7956231 0.83 EBP (0.46) ARPGRL3MBTL1EBPSIGMAR1
SCHEMBL7968611 0.83 ADRA2B (0.43) ARL3MBTL1EBPSIGMAR1MAOB
SCHEMBL7972165 0.81 SIGMAR1 (0.50) L3MBTL1EBPSIGMAR1MAOBCYP2D6
SCHEMBL7956534 0.81 EBP (0.38) ARPGRL3MBTL1EBPSIGMAR1
SCHEMBL7968796 0.81 EBP (0.38) 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