SCHEMBL9689922

SCHEMBL9689922

CCCCCCCCCCCCCCCCCCC(C)c1c(C)ccc(C)c1N

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
GRM2 Q14416 5/20 0.35
SLC2A1 P11166 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
CSNK1E P49674 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SKP2 Q13309 1/20 0.32
ADA P00813 3/20 0.32

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
SCHEMBL3898958 0.78 OPRM1 (0.41) OPRM1MEN1KMT2ANPSR1SPHK1
SCHEMBL9308493 0.78 TYR (0.39) MEN1KMT2ANPSR1SPHK1GPR84
SCHEMBL5665699 0.77 TYR (0.45) MEN1KMT2ANPSR1SPHK1GPR84
SCHEMBL6021257 0.77 TYR (0.45) MEN1KMT2ANPSR1SPHK1GPR84
SCHEMBL5066968 0.77 TYR (0.45) MEN1KMT2ANPSR1SPHK1GPR84
SCHEMBL5318185 0.77 TYR (0.45) MEN1KMT2ANPSR1SPHK1GPR84
SCHEMBL24105890 0.73 RECQL (0.40) MEN1KMT2ANPSR1GRM2GPR84
SCHEMBL10774938 0.73 TYR (0.41) MEN1KMT2ANPSR1SPHK1GPR84
SCHEMBL21884029 0.72 NOS2 (0.42) OPRM1SLC2A1GPR84ADA
SCHEMBL4345777 0.72 SLC2A1 (0.34) OPRM1MEN1KMT2ANPSR1SPHK1

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-5117061-A Process of preparing substituted anilines ETHYL CORPORATION (US) 1992-05-26 US disclosed