SCHEMBL7969206

SCHEMBL7969206

CC(CCC(C#N)(c1ccccc1Br)C(C)C)N(C)C(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
EBP Q15125 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
RIPK1 Q13546 2/20 0.33
AR P10275 4/20 0.32
PGR P06401 1/20 0.32
CYP2D6 P10635 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX5 P09917 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
MAOB P27338 2/20 0.30
PYCR1 P32322 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
SCHEMBL7972392 0.88 EBP (0.38) L3MBTL1EBPSIGMAR1RIPK1AR
SCHEMBL7969390 0.87 L3MBTL1 (0.38) L3MBTL1EBPSIGMAR1RIPK1AR
SCHEMBL7969791 0.85 L3MBTL1 (0.40) L3MBTL1EBPSIGMAR1RIPK1AR
SCHEMBL7956093 0.85 L3MBTL1 (0.40) L3MBTL1EBPSIGMAR1RIPK1AR
SCHEMBL7972161 0.85 AR (0.41) L3MBTL1EBPSIGMAR1RIPK1AR
SCHEMBL7965677 0.83 ADRA2B (0.43) L3MBTL1EBPSIGMAR1CYP2D6MAOB
SCHEMBL7972605 0.83 EBP (0.46) L3MBTL1EBPSIGMAR1RIPK1AR
SCHEMBL7968950 0.83 EBP (0.46) L3MBTL1EBPSIGMAR1RIPK1CYP2D6
SCHEMBL7966962 0.82 EBP (0.41) L3MBTL1EBPSIGMAR1RIPK1AR
SCHEMBL7969207 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