SCHEMBL8557816

SCHEMBL8557816

CCCN1CCC(c2ccccc2)C(C(=O)OC)C1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.70
SLC6A4 P31645 2/20 0.70
SLC6A3 Q01959 2/20 0.70
CHRM2 P08172 3/20 0.60
CHRM4 P08173 3/20 0.60
CHRM5 P08912 3/20 0.60
CHRM1 P11229 3/20 0.60
CHRM3 P20309 3/20 0.60

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
SCHEMBL6415808 0.86 SLC6A3 (0.62) SLC6A2SLC6A4SLC6A3CHRM2CHRM4
SCHEMBL6923257 0.83 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL6923261 0.83 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL7494007 0.81 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3
SCHEMBL7521262 0.81 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3
SCHEMBL10369770 0.81 CHRM2 (0.50) SLC6A2SLC6A4SLC6A3CHRM2CHRM4
SCHEMBL16141349 0.80 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16108720 0.80 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3
SCHEMBL18771277 0.80 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3
SCHEMBL14934559 0.80 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998051311-A2 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-11-19 WO disclosed
EP-0790826-A4 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1998-11-11 EP disclosed
EP-0790826-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-08-27 EP disclosed