SCHEMBL5347220

SCHEMBL5347220

CCCS(=O)(=O)c1ccc(CN2CCC(c3cc(NC(=O)C(C)C)c(F)cc3C)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.52
ADRA1A P35348 4/20 0.52
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL5319231 0.89 DRD2 (0.54) DRD2ADRA1A
SCHEMBL4615778 0.87 DRD2 (0.55) DRD2ADRA1A
SCHEMBL5324228 0.85 DRD2 (0.63) DRD2ADRA1AALDH1A1MAPK1
SCHEMBL5322079 0.81 DRD2 (0.49) DRD2ADRA1A
SCHEMBL4616577 0.81 DRD2 (0.55) DRD2ADRA1A
SCHEMBL5319227 0.80 DRD2 (0.44) DRD2ADRA1AALDH1A1MAPK1
SCHEMBL5357569 0.76 DRD2 (0.64) DRD2ADRA1A
SCHEMBL5319800 0.75 GAA (0.42) DRD2ADRA1AALDH1A1
SCHEMBL14396551 0.74 DRD2 (0.47) DRD2ADRA1A
SCHEMBL5321967 0.74 GAA (0.41) DRD2ALDH1A1

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
WO-2007114902-A2 ALKYLTHIOBENZYLPIPERIDINE COMPOUNDS H.LUNDBECK A/S (DK) 2007-10-11 WO disclosed