SCHEMBL3255532

SCHEMBL3255532

CN1CCc2ccccc2C1CCCCC1c2ccccc2CCN1C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.54
OPRM1 P35372 4/20 0.52
OPRK1 P41145 4/20 0.52
SLC6A4 P31645 3/20 0.52
KCNN2 Q9H2S1 4/20 0.51
KCNN3 Q9UGI6 4/20 0.51
KCNN1 Q92952 2/20 0.51
OPRD1 P41143 1/20 0.50
SLC6A3 Q01959 1/20 0.49
OPRL1 P41146 1/20 0.48
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44

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
Hydrochloric Acid SCHEMBL3254136 0.98 PRCP (0.53) PRCPOPRM1OPRK1SLC6A4KCNN2
SCHEMBL3248329 0.98 PRCP (0.53) PRCPOPRM1OPRK1SLC6A4KCNN2
Hydrochloric Acid SCHEMBL3253137 0.97 PRCP (0.51) PRCPOPRM1OPRK1SLC6A4KCNN2
SCHEMBL3245156 0.97 KCNN2 (0.55) PRCPOPRM1OPRK1SLC6A4KCNN2
Hydrochloric Acid SCHEMBL3263954 0.95 KCNN2 (0.56) PRCPOPRM1OPRK1SLC6A4KCNN2
SCHEMBL14417432 0.92 OPRM1 (0.48) PRCPOPRM1OPRK1SLC6A4KCNN2
SCHEMBL8820261 0.92 OPRM1 (0.50) PRCPOPRM1OPRK1SLC6A4KCNN2
SCHEMBL8011451 0.88 PRCP (0.53) PRCPOPRM1OPRK1SLC6A4KCNN2
SCHEMBL19020713 0.88 PRCP (0.53) PRCPOPRM1OPRK1SLC6A4KCNN2
SCHEMBL23057928 0.84 PRCP (0.56) PRCPOPRM1OPRK1SLC6A4OPRD1

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
EP-1998775-B1 BIS1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR USES AS PHARMACEUTICALS UNIV LIEGE (BE) 2010-05-19 EP claimed