SCHEMBL3472254

SCHEMBL3472254

CCCCCCCCc1ccccc1-c1c(-c2ccccn2)ccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.40
HTR2C P28335 1/20 0.40
CNR2 P34972 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL2955776 0.84 LIPG (0.47) NR1H2NR1H3LIPGCYP1A2CYP2D6
SCHEMBL21565078 0.84 LIPG (0.47) NR1H2NR1H3LIPGCYP1A2CYP2D6
SCHEMBL28444772 0.80 NR1H2 (0.47) NR1H2NR1H3LIPGCYP1A2CYP2D6
SCHEMBL4725082 0.78 CYP1A2 (0.49) NR1H2NR1H3LIPGCYP1A2CYP2D6
SCHEMBL7191432 0.78 TLR8 (0.43) CNR1CNR2NR1H2NR1H3LIPG
SCHEMBL1606156 0.78 TLR8 (0.43) CNR1CNR2NR1H2NR1H3LIPG
SCHEMBL7190389 0.78 TLR8 (0.43) CNR1CNR2NR1H2NR1H3LIPG
SCHEMBL7194266 0.78 TLR8 (0.43) CNR1CNR2NR1H2NR1H3LIPG
SCHEMBL21565085 0.77 LIPG (0.49) LIPGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL28448529 0.77 LIPG (0.49) LIPGCYP1A2CYP2D6CYP19A1CYP2C9

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
WO-2010069986-A1 LUBRICATING OIL COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2010-06-24 WO disclosed