SCHEMBL9278587

SCHEMBL9278587

CCc1ccc(CN)c(CC)c1N

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
AOC1 P19801 1/20 0.30
AOC3 Q16853 1/20 0.30
GABRA1 P14867 2/20 0.30
GABRB2 P47870 2/20 0.30
KDM4E B2RXH2 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
SCHEMBL393531 0.88 POLB (0.35) POLBHTTNOS3NOS2GABRA1
SCHEMBL615425 0.84 GABRA1 (0.36) POLBHTTNOS3NOS2GABRA1
SCHEMBL2773980 0.83 GABRA1 (0.33) POLBNOS3NOS2AOC1AOC3
Hydrochloric Acid SCHEMBL1937544 0.81 AOC1 (0.33) NOS3NOS2AOC1AOC3GABRA1
Bromide SCHEMBL6625824 0.81 GABRA1 (0.32) NOS3NOS2GABRA1GABRB2
SCHEMBL3674137 0.79 GABRA1 (0.36) POLBHTTNOS3NOS2GABRA1
SCHEMBL459542 0.79 POLB (0.38) POLBHTTNOS3NOS2GABRA1
SCHEMBL29430589 0.79 POLB (0.38) POLBHTTNOS3NOS2GABRA1
SCHEMBL11328090 0.79 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL8443799 0.77 NOS2 (0.45) POLBHTTNOS3NOS2GABRA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7216055-A None JP disclosed
JP-H07216055-A HEAT-RESISTANT EPOXY RESIN FOR LAMINATE AND ITS COMPOSITION TOTO KASEI KK 1995-08-15 JP disclosed