SCHEMBL336926

SCHEMBL336926

CO[C@H]1CC[C@@H](CC(=O)NC2CCC(CCN3CCC(C(=O)c4ccc(F)cc4)CC3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 16/20 0.57
DRD3 P35462 15/20 0.57
DRD2 P14416 11/20 0.57
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
HTR2C P28335 1/20 0.48
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL1923624 1.00 HTR2A (0.57) HTR2ADRD3DRD2SMN1; SMN2LMNA
SCHEMBL1923623 1.00 HTR2A (0.57) HTR2ADRD3DRD2SMN1; SMN2LMNA
SCHEMBL1923796 1.00 HTR2A (0.57) HTR2ADRD3DRD2SMN1; SMN2LMNA
SCHEMBL1923798 1.00 HTR2A (0.57) HTR2ADRD3DRD2SMN1; SMN2LMNA
SCHEMBL338016 1.00 HTR2A (0.57) HTR2ADRD3DRD2SMN1; SMN2LMNA
SCHEMBL337798 0.95 HTR2A (0.58) HTR2ADRD3DRD2SMN1; SMN2LMNA
SCHEMBL336913 0.95 HTR2A (0.58) HTR2ADRD3DRD2SMN1; SMN2LMNA
SCHEMBL337404 0.95 HTR2A (0.58) HTR2ADRD3DRD2SMN1; SMN2LMNA
SCHEMBL337951 0.95 HTR2A (0.58) HTR2ADRD3DRD2SMN1; SMN2LMNA
SCHEMBL337402 0.95 HTR2A (0.58) HTR2ADRD3DRD2SMN1; SMN2LMNA

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
US-8097637-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2012-01-17 US claimed
EP-2185513-B1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2011-06-08 EP claimed
US-8097637-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2012-01-17 US disclosed
EP-2185513-B1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed