SCHEMBL5763840

SCHEMBL5763840

Cc1cc(CCN2CCN(c3nsc4ccccc34)CC2)cc2c1NCCC2(C)C

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.72
DRD2 P14416 9/20 0.72
HTR1A P08908 5/20 0.53
HTR7 P34969 2/20 0.53
KCNH2 Q12809 2/20 0.49

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
SCHEMBL9367037 0.86 DRD2 (0.69) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL5767056 0.85 HTR2A (0.57) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL5766916 0.84 HTR2A (0.73) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL6187894 0.83 HTR2A (1.00) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL6185292 0.83 HTR2A (1.00) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL6188693 0.82 HTR2A (0.79) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL6187384 0.81 HTR2A (0.90) HTR2ADRD2HTR1AHTR7
SCHEMBL6751052 0.81 HTR2A (0.53) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL6222415 0.80 HTR2A (0.54) HTR2ADRD2
SCHEMBL6743902 0.78 HTR2A (0.57) HTR2ADRD2HTR1AHTR7KCNH2

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
EP-1701954-A1 N-SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES Warner-Lambert Company LLC (US) 2006-09-20 EP disclosed
WO-2005066165-A1 N-SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-07-21 WO disclosed