SCHEMBL338296

SCHEMBL338296

CO[C@H]1CCC[C@@H](CC(=O)NC2CCC(CCN3CCC(C(=O)c4ccc(F)cc4)CC3)CC2)C1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.55
DRD3 P35462 16/20 0.55
DRD2 P14416 12/20 0.55
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45

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
SCHEMBL337459 1.00 HTR2A (0.55) HTR2ADRD3DRD2LMNAHTT
SCHEMBL1923467 1.00 HTR2A (0.55) HTR2ADRD3DRD2LMNAHTT
SCHEMBL337460 1.00 HTR2A (0.55) HTR2ADRD3DRD2LMNAHTT
SCHEMBL338077 1.00 HTR2A (0.55) HTR2ADRD3DRD2LMNAHTT
SCHEMBL337461 1.00 HTR2A (0.55) HTR2ADRD3DRD2LMNAHTT
SCHEMBL10086684 1.00 HTR2A (0.55) HTR2ADRD3DRD2LMNAHTT
SCHEMBL1923455 1.00 HTR2A (0.55) HTR2ADRD3DRD2LMNAHTT
SCHEMBL1924334 1.00 HTR2A (0.55) HTR2ADRD3DRD2LMNAHTT
SCHEMBL337402 0.96 HTR2A (0.58) HTR2ADRD3DRD2LMNAHTT
SCHEMBL336913 0.96 HTR2A (0.58) HTR2ADRD3DRD2LMNAHTT

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