SCHEMBL31529005

SCHEMBL31529005

O=C(NN1CCOCC1)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(C#CCCO[N+](=O)[O-])cc2)c1CO

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.58
CNR2 P34972 4/20 0.56
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX15 P16050 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
GPR55 Q9Y2T6 1/20 0.54

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
SCHEMBL31529033 0.96 CNR1 (0.56) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL31528996 0.94 CNR1 (0.59) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL31528982 0.93 CNR1 (0.67) CNR1CNR2CYP2C9GPR55
SCHEMBL17645256 0.92 CNR1 (0.58) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL17645293 0.92 CNR1 (0.69) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL31529047 0.92 CNR1 (0.69) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL31529008 0.90 CNR1 (0.70) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL31528991 0.90 CNR1 (0.56) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL31529053 0.89 CNR1 (0.65) CNR1CNR2CYP2C9GPR55
SCHEMBL662796 0.89 CNR1 (0.67) CNR1CNR2KDM4EMEN1CYP1A2

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
WO-2025090673-A1 METHODS FOR TREATING ALCOHOL ADDICTION, ALCOHOL-USE DISORDERS AND ALCOHOL-RELATED INFLAMMATORY DISEASES MAKSCIENTIFIC, LLC (US) 2025-05-01 WO claimed
WO-2025090673-A1 METHODS FOR TREATING ALCOHOL ADDICTION, ALCOHOL-USE DISORDERS AND ALCOHOL-RELATED INFLAMMATORY DISEASES MAKSCIENTIFIC, LLC (US) 2025-05-01 WO disclosed