SCHEMBL10460587

SCHEMBL10460587

CCOC(=O)c1ccccc1-c1ccc(OCCCCl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
SCN1A P35498 2/20 0.50
SCN2A Q99250 2/20 0.50
SCN3A Q9NY46 2/20 0.50
LMNA P02545 3/20 0.48
HSD17B10 Q99714 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.45
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
ERN1 O75460 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL5154594 0.82 ALDH1A1 (0.61) TSHRSCN1ASCN2ASCN3ALMNA
SCHEMBL1638832 0.81 TSHR (0.57) TSHRSCN1ASCN2ASCN3ALMNA
SCHEMBL8872328 0.81 TSHR (0.57) TSHRSCN1ASCN2ASCN3ALMNA
SCHEMBL9735304 0.81 TSHR (0.50) TSHRSCN1ASCN2ASCN3ALMNA
SCHEMBL10459135 0.80 TSHR (0.61) TSHRLMNAHSD17B10SMN1; SMN2L3MBTL1
SCHEMBL29500171 0.80 TSHR (0.65) TSHRSCN1ASCN2ASCN3ALMNA
SCHEMBL27686802 0.80 TSHR (0.65) TSHRSCN1ASCN2ASCN3ALMNA
SCHEMBL3230316 0.80 TSHR (0.65) TSHRSCN1ASCN2ASCN3ALMNA
SCHEMBL396552 0.80 TSHR (0.69) TSHRSCN1ASCN2ASCN3ALMNA
SCHEMBL5110148 0.80 TSHR (0.56) TSHRSCN1ASCN2ASCN3ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4950674-A Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-21 US disclosed
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 disclosed
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 disclosed