SCHEMBL29204584

SCHEMBL29204584

C=C(C)CN(C(=O)CC)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.44
CNR2 P34972 2/20 0.39
HCRTR2 O43614 2/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL29204673 0.85 SMN1; SMN2 (0.36) OPRM1
SCHEMBL29204629 0.85 CYP3A4 (0.44) OPRM1CNR2CNR1
SCHEMBL29204630 0.85 OPRM1 (0.44) OPRM1
SCHEMBL28388854 0.85 ALDH1A1 (0.50) OPRM1
SCHEMBL1607897 0.84 MEN1 (0.42)
SCHEMBL14174752 0.76 OPRM1 (0.49) OPRM1CNR2CNR1
SCHEMBL27406330 0.75 ALDH1A1 (0.31) CNR2HCRTR2
SCHEMBL4168719 0.75 OPRM1 (0.48) OPRM1CNR2
SCHEMBL30442545 0.72 RAB9A (0.44) OPRM1CNR2HCRTR2CNR1
SCHEMBL15215888 0.72 RAB9A (0.44) OPRM1CNR2HCRTR2

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
CN-117658888-A Sulfonylation five-membered lactam derivative and preparation method thereof 安徽师范大学 2024-03-08 CN disclosed