SCHEMBL31663908

SCHEMBL31663908

COc1ncccc1-c1cccnc1Oc1cnc2c(c1)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.39
SCN9A Q15858 2/20 0.37
HRH4 Q9H3N8 1/20 0.36
BTK Q06187 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL20394418 1.00 PDE10A (0.39) PDE10ASCN9AHRH4BTKCCNA2
SCHEMBL18661460 0.91 PDE10A (0.42) PDE10ACCNA2CDK2CDK5CDK5R1
SCHEMBL20394270 0.90 PDE10A (0.41) PDE10ACCNA2CDK2CDK5CDK5R1
SCHEMBL20406162 0.88 PDE10A (0.42) PDE10ACYP19A1CYP11B1CYP11B2
SCHEMBL18661533 0.86 PDE10A (0.43) PDE10A
SCHEMBL20406214 0.83 NPC1 (0.40) CCNA2CDK2CDK5CDK5R1CYP11B1
SCHEMBL20394220 0.83 NPC1 (0.44) PDE10ASCN9ACYP19A1CYP11B1CYP11B2
SCHEMBL20394524 0.81 PDE10A (0.36) PDE10ACDK2
SCHEMBL31663907 0.80 CYP17A1 (0.39) PDE10ASCN9ACYP19A1CYP11B1CYP11B2
SCHEMBL20394365 0.80 CYP17A1 (0.39) PDE10ASCN9ACYP19A1CYP11B1CYP11B2

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
EP-3351533-B1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME KAKEN PHARMA CO LTD (JP) 2025-07-23 EP disclosed