SCHEMBL11512485

SCHEMBL11512485

COc1ccc(Oc2ccc(C3CCCN3CCO)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.57
OPRM1 P35372 1/20 0.57
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
PDCD1LG2 Q9BQ51 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
FFAR1 O14842 1/20 0.43
ALDH1A1 P00352 1/20 0.42
IL33 O95760 2/20 0.42
DRD2 P14416 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL28519807 0.96 OPRK1 (0.52) OPRK1OPRM1MEN1KMT2AHSD17B10
SCHEMBL11510687 0.89 OPRK1 (0.47) OPRK1OPRM1MEN1KMT2AHRH3
SCHEMBL11509424 0.88 CHRNB2 (0.46) OPRK1OPRM1MEN1KMT2APDCD1LG2
SCHEMBL11509549 0.86 LTA4H (0.48) OPRK1OPRM1PDCD1LG2CD274FFAR1
SCHEMBL11509465 0.85 OPRK1 (0.58) OPRK1OPRM1MEN1KMT2AHSD17B10
SCHEMBL23507317 0.84 DRD2 (0.57) OPRK1OPRM1MEN1KMT2AHSD17B10
SCHEMBL11509496 0.83 OPRK1 (0.62) OPRK1OPRM1MEN1KMT2AHSD17B10
SCHEMBL28907187 0.82 ALDH1A1 (0.45) OPRK1OPRM1MEN1KMT2APDCD1LG2
SCHEMBL22639701 0.82 OPRK1 (0.49) OPRK1OPRM1MEN1KMT2AHSD17B10
SCHEMBL18306590 0.82 OPRK1 (0.49) OPRK1OPRM1MEN1KMT2AHSD17B10

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
US-4161529-A Phenoxy phenyl pyrrolidine compounds, compositions and methods of use SCIENCE UNION ET CIE, SOCIETE FRANCAISE DE RECHERCHE MEDICALE (FR) 1979-07-17 US disclosed