SCHEMBL7968543

SCHEMBL7968543

CCC(CCC(C#N)(c1c(F)cccc1F)C(C)C)N(C)C(C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
AR P10275 4/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
RIPK1 Q13546 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PGR P06401 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
SCHEMBL7971971 0.89 L3MBTL1 (0.38) EBPSIGMAR1ARCYP3A4CYP2D6
SCHEMBL7968796 0.87 EBP (0.38) EBPSIGMAR1ARCYP3A4CYP2D6
SCHEMBL7955944 0.86 EBP (0.36) EBPSIGMAR1ARCYP3A4CYP2D6
SCHEMBL7966692 0.86 EBP (0.36) EBPSIGMAR1ARCYP3A4CYP2D6
SCHEMBL7969749 0.84 EBP (0.39) EBPSIGMAR1
SCHEMBL7968647 0.84 EBP (0.43) EBPSIGMAR1ARCYP3A4CYP2D6
SCHEMBL7968651 0.84 EBP (0.39) EBPSIGMAR1ARCYP3A4CYP2D6
SCHEMBL7968547 0.83 SIGMAR1 (0.47) EBPSIGMAR1CYP3A4CYP2D6
SCHEMBL7965756 0.82 EBP (0.43) EBPSIGMAR1ARCYP3A4CYP2D6
SCHEMBL7971287 0.82 AR (0.39) EBPSIGMAR1ARCYP3A4CYP2D6

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