SCHEMBL11246210

SCHEMBL11246210

CCC(CC)CCCN1CCC2(c3cccc(OC)c3)CCCC2C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.58
SLC6A2 P23975 4/20 0.54
SLC6A3 Q01959 4/20 0.54
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
DRD2 P14416 1/20 0.42
KDM2B Q8NHM5 1/20 0.39
CYP2D6 P10635 2/20 0.39
HRH3 Q9Y5N1 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL11258195 0.89 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
Bromide SCHEMBL11265180 0.88 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL11262849 0.87 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
Bromide SCHEMBL11247155 0.87 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL11191206 0.86 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL11191207 0.86 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL11194276 0.85 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL11194278 0.85 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL11535214 0.80 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL11535210 0.80 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3OPRM1OPRD1

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 2 patents. 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
EP-0002937-A1 Novel pyrindines and their preparation, formulations and use ELI LILLY AND COMPANY (US) 1979-07-11 EP disclosed