SCHEMBL31185014

SCHEMBL31185014

O=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)c1ccc2c(c1)OCC2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
HTT P42858 1/20 0.41
GPR35 Q9HC97 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
CHRM2 P08172 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
KCNH2 Q12809 1/20 0.36
ERN1 O75460 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KAT6A Q92794 1/20 0.31

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
SCHEMBL31184689 0.93 CNR1 (0.40) CNR1HTTGPR35GPR55CHRM2
SCHEMBL31185019 0.85 CNR1 (0.43) CNR1HTTGPR35GPR55CHRM2
SCHEMBL31355611 0.83 CNR1 (0.45) CNR1HTTGPR35GPR55CHRM2
SCHEMBL3070533 0.82 GPR55 (0.56) CNR1HTTGPR35GPR55CHRM2
SCHEMBL29385169 0.82 GPR55 (0.56) CNR1HTTGPR35GPR55CHRM2
SCHEMBL31355591 0.82 POLB (0.39) ERN1KAT6A
SCHEMBL3092453 0.81 CNR1 (0.50) CNR1HTTGPR35GPR55CHRM2
SCHEMBL31184919 0.81 CNR1 (0.43) CNR1HTTGPR35GPR55CHRM2
SCHEMBL31184961 0.81 CNR1 (0.43) CNR1HTTGPR35GPR55CHRM2
SCHEMBL3192059 0.79 CNR1 (0.52) CNR1HTTGPR35GPR55CHRM2

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
CN-119330941-A Antitumor compounds as UPR agonists and uses thereof 南京圣和药业股份有限公司 2025-01-21 CN disclosed
CN-118812517-A Antitumor compounds as UPR agonists and uses thereof 南京圣和药业股份有限公司 2024-10-22 CN disclosed