SCHEMBL10719794

SCHEMBL10719794

O=S(=O)(CCN1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HTR2A P28223 6/20 0.49
▸ POLB P06746 1/20 0.49
▸ DRD2 P14416 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTR7 P34969 5/20 0.43
▸ HTR2C P28335 4/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ HTR1A P08908 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CCR3 P51677 1/20 0.42

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
SCHEMBL10722004 0.93 HTR2A (0.53) MEN1KMT2AHTR2ADRD2HTR7
Fumaric Acid SCHEMBL10718456 0.92 HTR2A (0.46) MEN1KMT2AHTR2APOLBDRD2
SCHEMBL10720179 0.88 ALDH1A1 (0.56) KMT2AHTR2APOLBDRD2ALDH1A1
Fumaric Acid SCHEMBL10718863 0.86 HTR2A (0.49) HTR2ADRD2HTR7HTR1ACCR3
Fumaric Acid SCHEMBL10718869 0.86 HTR2A (0.49) HTR2ADRD2HTR7HTR1ACCR3
Fumaric Acid SCHEMBL10719500 0.83 ALDH1A1 (0.53) KMT2AHTR2APOLBDRD2ALDH1A1
Maleic Acid SCHEMBL10719497 0.83 ALDH1A1 (0.53) KMT2AHTR2APOLBDRD2ALDH1A1
SCHEMBL24732017 0.82 KMT2A (0.58) MEN1KMT2AHTR2ADRD2ALDH1A1
SCHEMBL10461474 0.78 PKM (0.63) MEN1KMT2APOLBALDH1A1
SCHEMBL27698523 0.76 MEN1 (0.57) MEN1KMT2APOLBALDH1A1HTR7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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