SCHEMBL5795751

SCHEMBL5795751

CC(=O)N1CC(C)(C)c2cc(CCN3CCN(c4noc5ccccc45)CC3)c(Cl)cc21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.54
DRD2 P14416 9/20 0.54
HTR1A P08908 3/20 0.49
HTR7 P34969 5/20 0.44
HTR6 P50406 4/20 0.44
DRD4 P21917 2/20 0.43
SIGMAR1 Q99720 2/20 0.43

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
SCHEMBL5764322 0.84 HTR2A (0.58) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL5766918 0.79 HTR2A (0.52) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL5767235 0.79 HTR2A (0.54) HTR2ADRD2HTR1AHTR7DRD4
SCHEMBL6187784 0.76 HTR2A (0.70) HTR2ADRD2HTR1AHTR7DRD4
SCHEMBL6187878 0.74 HTR2A (0.70) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL6218382 0.74 HTR2A (0.48) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL6221991 0.70 HTR2A (0.50) HTR2ADRD2HTR1A
SCHEMBL6186885 0.70 HTR2A (0.57) HTR2ADRD2HTR1AHTR7HTR6
Hydrochloric Acid SCHEMBL6745063 0.69 HTR2A (0.49) HTR2ADRD2HTR1A
SCHEMBL5767115 0.69 HTR2A (0.57) HTR2ADRD2HTR1AHTR7

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