SCHEMBL10563296

SCHEMBL10563296

Nc1ccc(OCCCN2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.53
HTR1A P08908 3/20 0.53
DRD2 P14416 3/20 0.53
DRD3 P35462 3/20 0.53
DRD1 P21728 2/20 0.53
DRD5 P21918 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
HRH3 Q9Y5N1 2/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
HRH1 P35367 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48

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
SCHEMBL10460536 0.94 HTR2A (0.58) HTR2AHTR1ADRD2DRD3DRD1
Fumaric Acid SCHEMBL10557412 0.90 HTR2A (0.50) HTR2AHTR1ADRD2DRD3DRD1
Fumaric Acid SCHEMBL10557402 0.90 HTR2A (0.50) HTR2AHTR1ADRD2DRD3DRD1
SCHEMBL10558384 0.88 HTR2A (0.53) HTR2AHTR1ADRD2DRD3DRD1
SCHEMBL10560025 0.88 DRD2 (0.69) HTR2AHTR1ADRD2DRD3DRD1
SCHEMBL10559724 0.88 HTR2A (0.56) HTR2AHTR1ADRD2DRD3DRD1
SCHEMBL10560937 0.87 HTR2A (0.55) HTR2AHTR1ADRD2DRD3DRD1
SCHEMBL10559903 0.86 HRH3 (0.58) MEN1KMT2AHRH3SIGMAR1HRH1
SCHEMBL10556073 0.85 HRH3 (0.55) HTR2AHTR1ADRD2DRD3DRD1
SCHEMBL10560068 0.85 HRH3 (0.57) HTR2AHTR1ADRD2DRD3DRD1

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
US-4810713-A Arylalkyl-heterocyclic amines, n-substituted by aryloxyalkyl groups used in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US claimed
EP-0235463-A2 N-substituted-arylalkyl and arylalkylene piperidines as cardiovascular antihistaminic and antisecretory agents A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1987-09-09 EP claimed