SCHEMBL28028557

SCHEMBL28028557

c1ccc2c(c1)CCNC2Cn1cccc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRCP P42785 4/20 0.58
SLC22A1 O15245 1/20 0.58
OPRM1 P35372 10/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.48
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 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
SCHEMBL9423819 0.79 PRCP (0.56) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL3453173 0.79 OPRM1 (0.56) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL330238 0.78 OPRM1 (0.57) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL329925 0.78 OPRM1 (0.57) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL329828 0.78 OPRM1 (0.57) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL13977536 0.78 PRCP (0.67) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL4340396 0.77 PRCP (0.61) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL8719925 0.76 PRCP (0.65) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL4020963 0.76 PRCP (0.65) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL16308969 0.76 PRCP (0.65) PRCPSLC22A1OPRM1GAAALDH1A1

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-103450079-B Tetrahydroisoquinoline hydroxy derivatives, its preparation method and medicinal use thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2015-07-29 CN disclosed