SCHEMBL5768141

SCHEMBL5768141

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

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.56
KCNH2 Q12809 14/20 0.56
HTR2A P28223 13/20 0.56
DRD2 P14416 11/20 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
SCHEMBL5768145 0.89 HTR1A (0.56) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL5763496 0.79 HTR2A (0.51) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL6107734 0.77 HTR1A (0.57) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL6108127 0.77 HTR1A (0.58) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL6105940 0.77 HTR1A (0.58) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL6218582 0.76 HTR1A (0.60) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL5763322 0.76 HTR1A (0.62) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL5738492 0.76 HTR1A (0.64) HTR1AKCNH2HTR2ADRD2HTR7
SCHEMBL5764322 0.76 HTR2A (0.58) 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