SCHEMBL10375773

SCHEMBL10375773

COc1cccc(C2CCC3CCCCN32)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.49
DRD2 P14416 2/20 0.45
HTR2C P28335 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTR1A P08908 2/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 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
SCHEMBL10763535 0.94 CHRNA7 (0.49) CHRNA7DRD2HTR2CKDM4EALDH1A1
Hydrochloric Acid SCHEMBL10760747 0.93 CHRNA7 (0.48) CHRNA7DRD2HTR2CKDM4EALDH1A1
Hydrochloric Acid SCHEMBL10760739 0.93 CHRNA7 (0.48) CHRNA7DRD2HTR2CKDM4EALDH1A1
Hydrochloric Acid SCHEMBL10760750 0.93 CHRNA7 (0.48) CHRNA7DRD2HTR2CKDM4EALDH1A1
SCHEMBL4295384 0.82 HRH3 (0.55) CHRNA7HRH3KDM4EALDH1A1GAA
SCHEMBL13660536 0.82 HRH3 (0.55) CHRNA7HRH3KDM4EALDH1A1GAA
SCHEMBL4295387 0.82 HRH3 (0.55) CHRNA7HRH3KDM4EALDH1A1GAA
SCHEMBL4295391 0.82 HRH3 (0.55) CHRNA7HRH3KDM4EALDH1A1GAA
SCHEMBL4295389 0.82 HRH3 (0.55) CHRNA7HRH3KDM4EALDH1A1GAA
SCHEMBL27316877 0.80 CHRNA7 (0.48) CHRNA7DRD2HTR2CKDM4EALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0187711-B1 OCTAHYDROINDOLIZINE COMPOUNDS USEFUL AS ANALGESICS McNeilab, Inc. (US) 1990-08-29 EP claimed
EP-0187711-A2 Octahydroindolizine compounds useful as analgesics McNeilab, Inc. (US) 1986-07-16 EP claimed
EP-0187711-B1 OCTAHYDROINDOLIZINE COMPOUNDS USEFUL AS ANALGESICS McNeilab, Inc. (US) 1990-08-29 EP disclosed
CN-86100131-A The preparation and the application thereof of octahydro indolizine compound 1986-10-15 CN disclosed
EP-0187711-A2 Octahydroindolizine compounds useful as analgesics McNeilab, Inc. (US) 1986-07-16 EP disclosed
US-4582836-A Octahydroindolizine compounds useful as analgesics MCNEILAB, INC. (US) 1986-04-15 US disclosed