SCHEMBL337687

SCHEMBL337687

COCC1CCC(C(C(N)=O)C2CCC(CCN3CCC(C(=O)c4ccc(F)cc4)CC3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.49
HTR2A P28223 3/20 0.49
HTR7 P34969 2/20 0.49
HTR6 P50406 2/20 0.49
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL337700 0.96 HTR2C (0.47) HTR2CHTR2AHTR7HTR6KDM4E
SCHEMBL338101 0.95 HTR2C (0.47) HTR2CHTR2AHTR7HTR6KDM4E
SCHEMBL336927 0.91 HTR2C (0.49) HTR2CHTR2AHTR7HTR6KDM4E
SCHEMBL337421 0.88 HTR2C (0.47) HTR2CHTR2AHTR7HTR6KDM4E
SCHEMBL338201 0.88 HTR2C (0.47) HTR2CHTR2AHTR7HTR6KDM4E
SCHEMBL336912 0.88 HTR2C (0.47) HTR2CHTR2AHTR7HTR6KDM4E
SCHEMBL337561 0.88 HTR2C (0.47) HTR2CHTR2AHTR7HTR6KDM4E
SCHEMBL337482 0.88 HTR2C (0.47) HTR2CHTR2AHTR7HTR6KDM4E
SCHEMBL338242 0.86 HTR2C (0.45) HTR2CHTR2AHTR7HTR6KDM4E
SCHEMBL338297 0.86 HTR2C (0.45) HTR2CHTR2AHTR7HTR6KDM4E

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 2 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 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