SCHEMBL30656399

SCHEMBL30656399

CC(C)N1CCC(n2ccc3ccccc32)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.64
OPRD1 P41143 1/20 0.64
OPRK1 P41145 1/20 0.64
OPRL1 P41146 1/20 0.64
DRD2 P14416 1/20 0.61
SLC6A4 P31645 1/20 0.61
SCD O00767 3/20 0.47
PRKCG P05129 1/20 0.44
PRKCB P05771 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCH P24723 1/20 0.44
PRKCE Q02156 1/20 0.44
PRKCZ Q05513 1/20 0.44
PRKCD Q05655 1/20 0.44
CAMK2B Q13554 1/20 0.44
CAMK2G Q13555 1/20 0.44
CAMK2D Q13557 1/20 0.44
CAMK2A Q9UQM7 1/20 0.44
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL3257479 1.00 OPRM1 (0.64) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL10169421 0.82 OPRM1 (0.52) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL3144674 0.82 DRD2 (0.70) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL30102638 0.82 DRD2 (0.70) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL29423860 0.81 DRD2 (0.63) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL367111 0.81 DRD2 (0.63) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL3357163 0.80 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL3353652 0.80 PRKCI (0.44) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL30271235 0.80 PRKCI (0.44) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL20212843 0.79 OPRL1 (1.00) OPRM1OPRD1OPRK1OPRL1DRD2

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
WO-2023217201-A2 NOVEL PYRIMIDO-HETEROCYCLIC NOVEL COMPOUND SERVING AS WEE1 INHIBITOR AND APPLICATION THEREOF 杭州德睿智药科技有限公司 2023-11-16 WO disclosed