SCHEMBL28818447

SCHEMBL28818447

COC1(c2cc[c]cc2)CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
SIGMAR1 Q99720 1/20 0.33
DRD2 P14416 2/20 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
SCHEMBL28818446 0.89 HTR2A (0.34) OPRM1OPRD1OPRK1OPRL1
SCHEMBL10316602 0.86 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1
SCHEMBL613551 0.81 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL28818442 0.81 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL2420658 0.79 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL186851 0.78 DRD2 (0.55) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL9581200 0.78 ALOX5 (0.45) OPRM1OPRD1OPRK1OPRL1
SCHEMBL19458949 0.78 MMP2 (0.35) OPRM1OPRD1OPRK1OPRL1SIGMAR1
Hydrochloric Acid SCHEMBL3251166 0.76 LIPG (0.39) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL1285437 0.76 OPRM1 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114901640-A Novel compounds useful for the treatment of dyslipidemia 兹杜斯生命科学有限公司 2022-08-12 CN claimed
CN-114901640-A Novel compounds useful for the treatment of dyslipidemia 兹杜斯生命科学有限公司 2022-08-12 CN disclosed