SCHEMBL25232129

SCHEMBL25232129

C=C(C)[C@@H]1CCC(C)=C[C@H]1c1ccc(CCCCC)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.68
CNR1 P21554 5/20 0.68
OPRM1 P35372 4/20 0.68
TRPV1 Q8NER1 4/20 0.68
GPR55 Q9Y2T6 3/20 0.68
CYP1A1 P04798 2/20 0.68
CYP2D6 P10635 2/20 0.68
CYP2B6 P20813 2/20 0.68
SLC6A2 P23975 2/20 0.68
CYP2C19 P33261 2/20 0.68
SLC6A3 Q01959 2/20 0.68
TRPM8 Q7Z2W7 2/20 0.68
PPARG P37231 2/20 0.68
MLNR O43193 1/20 0.68
NR1I2 O75469 1/20 0.68
PDE9A O76083 1/20 0.68
ABCB11 O95342 1/20 0.68
LDHA P00338 1/20 0.68
CYP1A2 P05177 1/20 0.68
CHRM2 P08172 1/20 0.68

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
SCHEMBL169812 1.00 CNR2 (0.68) CNR2CNR1OPRM1TRPV1GPR55
SCHEMBL29735181 0.84 CNR2 (0.51) CNR2CNR1OPRM1TRPV1GPR55
SCHEMBL21783715 0.83 CNR2 (0.73) CNR2CNR1OPRM1TRPV1GPR55
SCHEMBL30394982 0.83 CNR2 (0.73) CNR2CNR1OPRM1TRPV1GPR55
SCHEMBL18379527 0.83 CNR2 (0.73) CNR2CNR1OPRM1TRPV1GPR55
SCHEMBL23008683 0.83 CNR2 (0.73) CNR2CNR1OPRM1TRPV1GPR55
SCHEMBL30631338 0.82 CNR2 (0.62) CNR2CNR1OPRM1TRPV1GPR55
Cannabidiol SCHEMBL23460334 0.81 CNR2 (1.00) CNR2CNR1OPRM1TRPV1GPR55
Cannabidiol SCHEMBL23934764 0.81 CNR2 (1.00) CNR2CNR1OPRM1TRPV1GPR55
Cannabidiol SCHEMBL20930113 0.81 CNR2 (1.00) CNR2CNR1OPRM1TRPV1GPR55

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-2024058552-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DEGENERATIVE BRAIN DISEASES, COMPRISING CANNABINOIDS AS ACTIVE INGREDIENT, AND USES THEREOF 주식회사 네오켄바이오 2024-03-21 WO disclosed
WO-2023103734-A1 CANNABIDIOL DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 德义制药有限公司 2023-06-15 WO disclosed