SCHEMBL5767435

SCHEMBL5767435

CC(=O)N1CCCCc2cc(CCN3CCN(c4nsc5c(F)cccc45)CC3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.49
HTR1A P08908 13/20 0.49
KCNH2 Q12809 13/20 0.49
DRD2 P14416 10/20 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
SCHEMBL5795679 0.86 HTR1A (0.62) HTR2AHTR1AKCNH2DRD2
SCHEMBL5764221 0.85 HTR1A (0.62) HTR2AHTR1AKCNH2DRD2
SCHEMBL5764470 0.79 HTR2A (0.51) HTR2AHTR1AKCNH2DRD2
SCHEMBL5767190 0.78 HTR1A (0.61) HTR2AHTR1AKCNH2DRD2
SCHEMBL5763322 0.78 HTR1A (0.62) HTR2AHTR1AKCNH2DRD2
SCHEMBL6747864 0.73 HTR1A (0.44) HTR2AHTR1ADRD2
SCHEMBL27633026 0.72 HTR1A (0.46) HTR2AHTR1AKCNH2DRD2
SCHEMBL5764900 0.72 HTR2A (0.60) HTR2AHTR1AKCNH2DRD2
SCHEMBL9371546 0.71 HTR1A (0.61) HTR2AHTR1AKCNH2DRD2
SCHEMBL5766539 0.71 HTR1A (0.60) HTR2AHTR1AKCNH2DRD2

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