SCHEMBL5764221

SCHEMBL5764221

CC(=O)N1CCCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.62
HTR2A P28223 14/20 0.62
KCNH2 Q12809 14/20 0.62
DRD2 P14416 10/20 0.62
HTR7 P34969 1/20 0.58

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
SCHEMBL5795679 0.98 HTR1A (0.62) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL5767190 0.90 HTR1A (0.61) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL5763322 0.89 HTR1A (0.62) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL5767435 0.85 HTR2A (0.49) HTR1AHTR2AKCNH2DRD2
SCHEMBL9371546 0.85 HTR1A (0.61) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL5766539 0.84 HTR1A (0.60) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL5764470 0.83 HTR2A (0.51) HTR1AHTR2AKCNH2DRD2
SCHEMBL5765691 0.83 HTR1A (0.58) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL9752486 0.83 HTR1A (0.63) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL5765871 0.82 HTR1A (0.60) HTR1AHTR2AKCNH2DRD2HTR7

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