SCHEMBL7956093

SCHEMBL7956093

CC(CCC(C#N)(c1ccccc1F)C(C)C)N(C)C(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
EBP Q15125 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
AR P10275 4/20 0.34
PGR P06401 1/20 0.34
RIPK1 Q13546 2/20 0.33
CYP2D6 P10635 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX5 P09917 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
HTR2A P28223 1/20 0.30
HRH1 P35367 1/20 0.30
MAOB P27338 2/20 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
SCHEMBL7972161 0.88 AR (0.41) L3MBTL1EBPSIGMAR1ARPGR
SCHEMBL7968796 0.88 EBP (0.38) L3MBTL1EBPSIGMAR1ARPGR
SCHEMBL7971971 0.87 L3MBTL1 (0.38) L3MBTL1EBPSIGMAR1ARPGR
SCHEMBL7969791 0.85 L3MBTL1 (0.40) L3MBTL1EBPSIGMAR1ARPGR
SCHEMBL7969206 0.85 L3MBTL1 (0.40) L3MBTL1EBPSIGMAR1ARPGR
SCHEMBL7956311 0.83 EBP (0.46) L3MBTL1EBPSIGMAR1ARPGR
SCHEMBL7971844 0.83 ADRA2B (0.43) L3MBTL1EBPSIGMAR1CYP2D6MEN1
SCHEMBL7968642 0.83 EBP (0.46) L3MBTL1EBPSIGMAR1ARPGR
SCHEMBL7972558 0.82 EBP (0.41) EBPSIGMAR1ARPGRRIPK1
SCHEMBL7956095 0.81 SIGMAR1 (0.50) L3MBTL1EBPSIGMAR1CYP2D6CYP3A4

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