SCHEMBL5767115

SCHEMBL5767115

CC(=O)N1CC(C)(C)c2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.57
DRD2 P14416 11/20 0.57
HTR1A P08908 9/20 0.57
KCNH2 Q12809 8/20 0.57
HTR7 P34969 1/20 0.57

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
SCHEMBL5768145 0.89 HTR1A (0.56) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL5768141 0.89 HTR1A (0.56) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL5763496 0.87 HTR2A (0.51) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL5764322 0.86 HTR2A (0.58) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL5794638 0.85 HTR2A (0.51) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL5766918 0.83 HTR2A (0.52) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL5795679 0.82 HTR1A (0.62) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL5764221 0.82 HTR1A (0.62) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL5792811 0.82 HTR2A (0.53) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL6218582 0.80 HTR1A (0.60) HTR2ADRD2HTR1AKCNH2HTR7

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