SCHEMBL5768145

SCHEMBL5768145

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

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.56
KCNH2 Q12809 13/20 0.56
HTR2A P28223 12/20 0.56
DRD2 P14416 10/20 0.56
HTR7 P34969 1/20 0.53

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
SCHEMBL5767115 0.89 HTR2A (0.57) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL5768141 0.89 HTR1A (0.56) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL5763496 0.79 HTR2A (0.51) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL6106723 0.78 HTR1A (0.56) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL6105381 0.78 HTR1A (0.60) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL5794638 0.77 HTR2A (0.51) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL6218582 0.76 HTR1A (0.60) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL5738492 0.76 HTR1A (0.64) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL5764322 0.76 HTR2A (0.58) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL6795579 0.76 HTR1A (0.59) HTR1AKCNH2HTR2ADRD2HTR7

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