SCHEMBL8207336

SCHEMBL8207336

Cc1ccccc1C1=CC2CCC(C1)N2C

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.71
SLC6A2 P23975 6/20 0.71
SLC6A3 Q01959 6/20 0.71
HTR6 P50406 1/20 0.44
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
HTR1A P08908 1/20 0.34

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
SCHEMBL2889995 0.88 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3HTR6NOS3
SCHEMBL2889993 0.88 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3HTR6NOS3
Hydrochloric Acid SCHEMBL2891904 0.87 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3HTR6NOS3
SCHEMBL1020818 0.83 SLC6A2 (0.69) SLC6A4SLC6A2SLC6A3HTR6NOS3
SCHEMBL1020817 0.83 SLC6A2 (0.69) SLC6A4SLC6A2SLC6A3HTR6NOS3
SCHEMBL5829586 0.83 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3HTR6NOS3
SCHEMBL5829683 0.83 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3HTR6NOS3
Hydrochloric Acid SCHEMBL1023640 0.82 SLC6A2 (0.68) SLC6A4SLC6A2SLC6A3HTR6NOS3
SCHEMBL6491789 0.81 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3HTR6HTR1A
SCHEMBL6491784 0.81 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3HTR6HTR1A

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
EP-0984965-A1 8-AZABICYCLO(3,2,1)OCT-2-ENE AND OCTANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACH RECEPTORS NEUROSEARCH A/S (DK) 2000-03-15 EP claimed
WO-1998054181-A1 8-AZABICYCLO(3,2,1)OCT-2-ENE AND OCTANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACH RECEPTORS NEUROSEARCH A/S (DK) 1998-12-03 WO claimed