SCHEMBL11242548

SCHEMBL11242548

COc1cccc(C23CCCC2CN(Cc2ccccc2)CC3)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.60
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
SIGMAR1 Q99720 6/20 0.53
ALDH1A1 P00352 1/20 0.49
OPRM1 P35372 2/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CXCR3 P49682 1/20 0.44

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
SCHEMBL11551237 0.96 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3SIGMAR1ALDH1A1
SCHEMBL11539809 0.93 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3SIGMAR1ALDH1A1
SCHEMBL11539814 0.93 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3SIGMAR1ALDH1A1
SCHEMBL11241096 0.89 OPRM1 (0.46) SLC6A4SLC6A2SLC6A3SIGMAR1ALDH1A1
SCHEMBL11539150 0.88 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3SIGMAR1ALDH1A1
SCHEMBL11539155 0.88 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3SIGMAR1ALDH1A1
SCHEMBL11536050 0.86 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3SIGMAR1OPRM1
SCHEMBL11194103 0.86 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3SIGMAR1OPRM1
SCHEMBL11194100 0.86 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3SIGMAR1OPRM1
SCHEMBL11243848 0.86 OPRM1 (0.49) SLC6A4SLC6A2SLC6A3SIGMAR1ALDH1A1

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