SCHEMBL7972392

SCHEMBL7972392

CC(CCC(C#N)(c1c(Br)cccc1Br)C(C)C)N(C)C(C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
RIPK1 Q13546 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2D6 P10635 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX5 P09917 1/20 0.32
AR P10275 4/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
MAOB P27338 1/20 0.30
PGR P06401 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
SCHEMBL7969206 0.88 L3MBTL1 (0.40) EBPSIGMAR1RIPK1L3MBTL1CYP2D6
SCHEMBL7966692 0.87 EBP (0.36) EBPSIGMAR1RIPK1L3MBTL1CYP2D6
SCHEMBL7956534 0.85 EBP (0.38) EBPSIGMAR1RIPK1L3MBTL1CYP2D6
SCHEMBL7968796 0.85 EBP (0.38) EBPSIGMAR1RIPK1L3MBTL1CYP2D6
SCHEMBL7967365 0.83 EBP (0.46) EBPSIGMAR1RIPK1L3MBTL1CYP2D6
SCHEMBL7968778 0.83 ADRA2B (0.43) EBPSIGMAR1L3MBTL1MAOB
SCHEMBL7968950 0.83 EBP (0.46) EBPSIGMAR1RIPK1L3MBTL1CYP2D6
SCHEMBL7966962 0.82 EBP (0.41) EBPSIGMAR1RIPK1L3MBTL1CYP2D6
SCHEMBL7972393 0.81 SIGMAR1 (0.50) EBPSIGMAR1CYP2D6CYP3A4DRD2
SCHEMBL7966996 0.80 EBP (0.43) EBPSIGMAR1RIPK1L3MBTL1CYP2D6

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