SCHEMBL9829765

SCHEMBL9829765

CN1CCC2(OCCO2)c2cccc(CO)c21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9827965 0.69 OPRM1 (0.33) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4964190 0.64 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL9827964 0.64 ALOX12 (0.40) ALDH1A1
SCHEMBL4816590 0.61 PDCD1 (0.33)
SCHEMBL11830646 0.61 OPRL1 (0.62) OPRM1OPRD1OPRK1OPRL1
SCHEMBL9830196 0.60 MAP2K1 (0.41)
SCHEMBL12015672 0.60 HCRTR1 (0.39)
SCHEMBL744812 0.60 OPRL1 (0.50) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL30408176 0.60 OPRL1 (0.50) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL11833990 0.59 OPRL1 (0.56) OPRM1OPRD1OPRK1OPRL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0239129-B1 HYDROQUINOLINE COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-25 EP disclosed
US-4963566-A ANTIULCER AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-10-16 US disclosed
EP-0239129-A2 Hydroquinoline compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-30 EP disclosed