SCHEMBL7971971

SCHEMBL7971971

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
EBP Q15125 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
AR P10275 4/20 0.34
PGR P06401 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
RIPK1 Q13546 1/20 0.31
ALOX5 P09917 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
SCHEMBL7968543 0.89 EBP (0.36) L3MBTL1EBPSIGMAR1ARPGR
SCHEMBL7971287 0.89 AR (0.39) L3MBTL1EBPSIGMAR1ARPGR
SCHEMBL7956093 0.87 L3MBTL1 (0.40) L3MBTL1EBPSIGMAR1ARPGR
SCHEMBL7969390 0.86 L3MBTL1 (0.38) L3MBTL1EBPSIGMAR1ARPGR
SCHEMBL7968732 0.86 L3MBTL1 (0.38) L3MBTL1EBPSIGMAR1ARPGR
SCHEMBL7968608 0.84 EBP (0.39) L3MBTL1EBPSIGMAR1
SCHEMBL7968647 0.84 EBP (0.43) L3MBTL1EBPSIGMAR1ARPGR
SCHEMBL7968651 0.84 EBP (0.39) EBPSIGMAR1ARPGRCYP3A4
SCHEMBL7971974 0.83 SIGMAR1 (0.47) L3MBTL1EBPSIGMAR1CYP3A4CYP2D6
SCHEMBL7965756 0.82 EBP (0.43) EBPSIGMAR1ARPGRCYP3A4

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