SCHEMBL11244817

SCHEMBL11244817

O=C(Cc1ccccc1)N1CCC2(c3ccccc3)CCCC2C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
POLB P06746 1/20 0.54
OPRD1 P41143 3/20 0.52
OPRK1 P41145 2/20 0.52
TACR3 P29371 1/20 0.51
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPK1 P28482 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
CRBN Q96SW2 1/20 0.42

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
SCHEMBL11553191 0.83 SLC6A4 (0.54) ALDH1A1POLBOPRD1OPRK1SLC6A2
SCHEMBL11552626 0.83 SLC6A4 (0.54) ALDH1A1POLBOPRD1OPRK1SLC6A2
SCHEMBL11552628 0.83 SLC6A4 (0.54) ALDH1A1POLBOPRD1OPRK1SLC6A2
SCHEMBL11548123 0.82 CXCR3 (0.44) ALDH1A1POLBOPRD1OPRK1TACR3
SCHEMBL11253346 0.81 SLC6A2 (0.47) ALDH1A1OPRD1OPRK1MEN1KMT2A
SCHEMBL11243848 0.76 OPRM1 (0.49) ALDH1A1POLBOPRD1OPRK1MEN1
SCHEMBL11260608 0.73 OPRM1 (0.50) OPRD1OPRK1SLC6A2SLC6A4SLC6A3
SCHEMBL11246645 0.73 SLC6A4 (0.68) OPRD1OPRK1SLC6A2SLC6A4SLC6A3
SCHEMBL11246658 0.73 SLC6A4 (0.68) OPRD1OPRK1SLC6A2SLC6A4SLC6A3
SCHEMBL12208343 0.73 ALDH1A1 (0.68) ALDH1A1POLBOPRD1OPRK1TACR3

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