SCHEMBL30952114

SCHEMBL30952114

CN1CCc2ccccc2C1CN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.54
OPRM1 P35372 4/20 0.52
OPRK1 P41145 4/20 0.52
RET P07949 1/20 0.50
HTR2A P28223 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRL1 P41146 1/20 0.48
SLC6A4 P31645 3/20 0.46
DRD2 P14416 2/20 0.44
DRD1 P21728 2/20 0.44
SLC6A3 Q01959 1/20 0.44
MTNR1B P49286 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL11473332 1.00 PRCP (0.54) PRCPOPRM1OPRK1RETHTR2A
SCHEMBL8024199 0.84 PRCP (0.56) PRCPOPRM1OPRK1OPRD1OPRL1
SCHEMBL21890121 0.84 PRCP (0.56) PRCPOPRM1OPRK1OPRD1OPRL1
SCHEMBL23057928 0.84 PRCP (0.56) PRCPOPRM1OPRK1OPRD1OPRL1
SCHEMBL3245156 0.83 KCNN2 (0.55) PRCPOPRM1OPRK1OPRD1OPRL1
SCHEMBL3255532 0.83 PRCP (0.54) PRCPOPRM1OPRK1OPRD1OPRL1
SCHEMBL30818243 0.82 HTR2A (0.44) PRCPOPRM1OPRK1RETHTR2A
Hydrochloric Acid SCHEMBL3263954 0.81 KCNN2 (0.56) PRCPOPRM1OPRK1OPRD1OPRL1
SCHEMBL3248329 0.81 PRCP (0.53) PRCPOPRM1OPRK1OPRD1OPRL1
SCHEMBL19020713 0.81 PRCP (0.53) PRCPOPRM1OPRK1OPRD1OPRL1

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-112789276-B Analgesic compounds, process for their preparation and their use in medicine 上海海雁医药科技有限公司 2024-07-30 CN disclosed