SCHEMBL9834654

SCHEMBL9834654

C1CNC2CC3CNCC3CC2C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.39
CCR5 P51681 1/20 0.33
SLC18A3 Q16572 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
NOS2 P35228 2/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL14828404 0.86
SCHEMBL23946276 0.86
SCHEMBL4904117 0.86
SCHEMBL21276522 0.84 EPAS1 (0.42) EPAS1SLC18A3SIGMAR1
SCHEMBL3959007 0.84 EPAS1 (0.47) EPAS1SLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL18249041 0.84
SCHEMBL14158242 0.82 EPAS1 (0.46) EPAS1SLC18A3SIGMAR1
SCHEMBL1723503 0.79
SCHEMBL606385 0.79
SCHEMBL1724943 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0145121-B1 PYRAZOLOQUINOLINES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 1991-08-14 EP disclosed
US-4778894-A TRANS-OCTAHYDROPYRAZOLOQUINOLINES; INTERMEDIATES FOR HYPOTENSIVE AGENTS ELI LILLY AND COMPANY (US) 1988-10-18 US disclosed
EP-0127708-B1 TRANS-DL-1-ALKYL-6-ALKOXYOCTAHYDROQUINOLINES ELI LILLY AND COMPANY (US) 1987-09-09 EP disclosed
US-4626591-A Trans-dl-1-alkyl-6-alkoxy-1,2,3,4,4a,5,8,8a octa-hydroquinolines ELI LILLY AND COMPANY (US) 1986-12-02 US disclosed
US-4596871-A Tautomeric mixtures ELI LILLY AND COMPANY (US) 1986-06-24 US disclosed
US-4540787-A Method of preparing trans-D1-1-alkyl-6-oxodecahydroquinolines ELI LILLY AND COMPANY (US) 1985-09-10 US disclosed
EP-0145121-A2 Pyrazoloquinolines, process for their preparation, and pharmaceutical compositions containing them ELI LILLY AND COMPANY (US) 1985-06-19 EP disclosed
EP-0142920-A2 6-Oxodecahydroquinolines and process for their preparation ELI LILLY AND COMPANY (US) 1985-05-29 EP disclosed
EP-0127708-A1 Trans-dl-1-alkyl-6-alkoxyoctahydroquinolines ELI LILLY AND COMPANY (US) 1984-12-12 EP disclosed
EP-0013788-B1 OCTAHYDRO-2H-PYRROLO(3,4-G)QUINOLINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 1983-04-27 EP disclosed
US-4311844-A Octahydro-2H-pyrrolo[3,4,-g]quinolines ELI LILLY AND COMPANY (US) 1982-01-19 US disclosed
US-4282362-A TREATING PARKINSON'S DISEASE, INHIBITORS OF PRE ACTIN SECRETION, DOPAMINE ANTAGONISTS ELI LILLY AND COMPANY (US) 1981-08-04 US disclosed
US-4282362-A TREATING PARKINSON'S DISEASE, INHIBITORS OF PRE ACTIN SECRETION, DOPAMINE ANTAGONISTS ELI LILLY AND COMPANY (US) 1981-08-04 US disclosed
US-4235909-A DOPAMINE ANTAGONISTS, IN THE TREATMENT OF PARKINSON'S DISEASE ELI LILLY AND COMPANY (US) 1980-11-25 US disclosed
US-4235909-A DOPAMINE ANTAGONISTS, IN THE TREATMENT OF PARKINSON'S DISEASE ELI LILLY AND COMPANY (US) 1980-11-25 US disclosed
EP-0013788-A1 Octahydro-2H-pyrrolo(3,4-g)quinolines, process for their preparation and pharmaceutical compositions containing them ELI LILLY AND COMPANY (US) 1980-08-06 EP disclosed
EP-0013788-A1 Octahydro-2H-pyrrolo(3,4-g)quinolines, process for their preparation and pharmaceutical compositions containing them ELI LILLY AND COMPANY (US) 1980-08-06 EP disclosed