SCHEMBL10556014

SCHEMBL10556014

Fc1ccc(C(c2ccc(F)cc2)C2CCN(CCCCOc3ccccc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.55
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
DRD2 P14416 2/20 0.52
TMEM97 Q5BJF2 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
HTR1A P08908 2/20 0.52
HRH1 P35367 1/20 0.52
DRD3 P35462 1/20 0.52
HTR7 P34969 1/20 0.49
SLC6A3 Q01959 1/20 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
SCHEMBL10559724 0.96 HTR2A (0.56) HTR2AHRH3DRD2TMEM97SIGMAR1
SCHEMBL10560937 0.95 HTR2A (0.55) HTR2ADRD2TMEM97SIGMAR1HTR1A
Oxalic Acid SCHEMBL10460865 0.94 KMT2A (0.56) HTR2AMEN1HTTKMT2AALDH1A1
SCHEMBL10560791 0.93 DRD2 (0.57) HTR2ADRD2TMEM97SIGMAR1HTR1A
SCHEMBL10560903 0.91 TMEM97 (0.56) MEN1KMT2AHRH3TMEM97SIGMAR1
Oxalic Acid SCHEMBL10461397 0.91 KDM4E (0.58) HTR2AMEN1LMNAKMT2AALDH1A1
SCHEMBL10460536 0.90 HTR2A (0.58) HTR2AMEN1LMNAHTTKMT2A
SCHEMBL10557274 0.87 TMEM97 (0.60) HTR2AMEN1KMT2AALDH1A1HRH3
Oxalic Acid SCHEMBL10460451 0.87 DRD2 (0.60) ALDH1A1DRD2HTR1AHTR7SLC6A3
Fumaric Acid SCHEMBL10461367 0.87 DRD2 (0.51) HTR2ADRD2HTR1A

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