SCHEMBL4995952

SCHEMBL4995952

O=C(NC1CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1)c1ccc(N2CCCCC2)cc1.O=C(N[C@H]1CC[C@H](CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1)c1ccc(N2CCSCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 17/20 0.59
HTR2A P28223 16/20 0.59
DRD2 P14416 9/20 0.55
PRKAB2 O43741 1/20 0.53
PRKAG1 P54619 1/20 0.53
PRKAA2 P54646 1/20 0.53
PRKAA1 Q13131 1/20 0.53
PRKAG3 Q9UGI9 1/20 0.53
PRKAG2 Q9UGJ0 1/20 0.53
PRKAB1 Q9Y478 1/20 0.53

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
SCHEMBL229123 0.97 HTR2A (0.54) DRD3HTR2ADRD2PRKAB2PRKAG1
SCHEMBL228592 0.95 DRD3 (0.64) DRD3HTR2ADRD2PRKAB2PRKAG1
SCHEMBL228055 0.87 HTR2A (0.65) DRD3HTR2ADRD2
SCHEMBL230299 0.87 HTR2A (0.55) DRD3HTR2ADRD2PRKAB2PRKAG1
SCHEMBL229741 0.87 HTR2A (0.65) DRD3HTR2ADRD2
SCHEMBL227201 0.87 DRD3 (0.60) DRD3HTR2ADRD2
SCHEMBL251440 0.85 HTR2A (0.65) DRD3HTR2ADRD2
SCHEMBL228853 0.84 HTR2A (0.52) DRD3HTR2ADRD2PRKAB2PRKAG1
SCHEMBL230363 0.83 DRD2 (0.62) DRD3HTR2ADRD2
SCHEMBL228637 0.82 HTR2A (0.64) DRD3HTR2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP claimed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO claimed
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed