SCHEMBL11243848

SCHEMBL11243848

c1ccc(CN2CCC3(c4ccccc4)CCCC3C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
OPRL1 P41146 1/20 0.49
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
POLB P06746 1/20 0.48
CXCR3 P49682 1/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL11547501 0.94 CYP1A2 (0.51) SLC6A2SLC6A4SLC6A3OPRL1ALDH1A1
Iodide SCHEMBL11547732 0.93 CYP1A2 (0.50) SLC6A2SLC6A4SLC6A3OPRL1ALDH1A1
SCHEMBL11260608 0.86 OPRM1 (0.50) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL11242548 0.86 SLC6A4 (0.60) OPRM1OPRD1OPRK1SLC6A2SLC6A4
Bromide SCHEMBL11248173 0.85 OPRM1 (0.49) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL11542030 0.85 CXCR3 (0.57) OPRL1POLBCXCR3SIGMAR1
SCHEMBL11542033 0.85 CXCR3 (0.57) OPRL1POLBCXCR3SIGMAR1
SCHEMBL11257297 0.84 SLC6A4 (0.54) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL17815774 0.84 OPRL1 (0.53) OPRM1OPRL1ALDH1A1CYP1A2CYP3A4
SCHEMBL16385999 0.84 OPRL1 (0.53) OPRM1OPRL1ALDH1A1CYP1A2CYP3A4

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-4337341-A 4a-Aryl-octahydro-1H-2-pyrindines ELI LILLY AND COMPANY (US) 1982-06-29 US disclosed