SCHEMBL8552878

SCHEMBL8552878

COc1ccccc1CC1NCCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.58
SLC22A1 O15245 1/20 0.58
OPRM1 P35372 3/20 0.57
CYP2D6 P10635 2/20 0.50
TSHR P16473 2/20 0.50
HIF1A Q16665 1/20 0.50
OPRK1 P41145 1/20 0.48
GID4 Q8IVV7 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
BCHE P06276 1/20 0.47

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
SCHEMBL9411108 0.86 BCHE (0.64) BCHE
SCHEMBL8558602 0.86 PRCP (0.52) PRCPSLC22A1OPRM1CYP2D6TSHR
Hydrochloric Acid SCHEMBL10802047 0.81 PRCP (0.50) PRCPSLC22A1OPRM1CYP2D6TSHR
SCHEMBL9411172 0.81 TBXA2R (0.67) PRCPSLC22A1OPRM1BCHE
SCHEMBL8554897 0.81 SLC22A1 (0.63) PRCPSLC22A1BCHE
SCHEMBL10396230 0.78 PRCP (0.63) PRCPSLC22A1OPRM1OPRK1
SCHEMBL10348630 0.78 KDM4E (0.66) PRCPSLC22A1OPRM1BCHE
SCHEMBL8556491 0.78 PRCP (0.71) PRCPSLC22A1OPRM1OPRK1GID4
SCHEMBL12859659 0.78 PRCP (0.71) PRCPSLC22A1OPRM1OPRK1GID4
SCHEMBL10348881 0.77 KDM4E (0.63) PRCPSLC22A1OPRM1BCHE

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-0617022-B1 6,7, dialkoxy-3,4-dihydroisoquinolin-8-ol, process for preparation thereof and process for preparation of 6,7-dialkoxy-1,2,3,4-tetrahydroisoquinolin-8-ol using the compound BANYU PHARMA CO LTD (JP) 1998-02-11 EP disclosed
US-4626591-A Trans-dl-1-alkyl-6-alkoxy-1,2,3,4,4a,5,8,8a octa-hydroquinolines ELI LILLY AND COMPANY (US) 1986-12-02 US disclosed
US-4540787-A Method of preparing trans-D1-1-alkyl-6-oxodecahydroquinolines ELI LILLY AND COMPANY (US) 1985-09-10 US disclosed