SCHEMBL4075676

SCHEMBL4075676

c1ccc(COCCCc2cc3ccccc3[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.52
HRH4 Q9H3N8 1/20 0.52
SSTR1 P30872 6/20 0.48
SSTR2 P30874 6/20 0.48
SSTR4 P31391 6/20 0.48
SSTR3 P32745 6/20 0.48
SSTR5 P35346 6/20 0.48
LOXL2 Q9Y4K0 1/20 0.46
IDO1 P14902 1/20 0.45
CHRNA7 P36544 1/20 0.44
OPRK1 P41145 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
SCHEMBL4892323 0.96 SSTR1 (0.50) HRH3HRH4SSTR1SSTR2SSTR4
SCHEMBL30005824 0.81 LOXL2 (0.55) HRH3LOXL2IDO1
SCHEMBL6860219 0.79 LOXL2 (0.64) HRH3HRH4LOXL2CHRNA7
SCHEMBL3195577 0.77 LOXL2 (0.58) HRH3LOXL2IDO1CHRNA7OPRK1
SCHEMBL14294327 0.77 BCHE (0.52) HRH3HRH4LOXL2CHRNA7
SCHEMBL4075672 0.75 LOXL2 (0.49) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL31059889 0.75 LOXL2 (0.69) HRH3HRH4LOXL2CHRNA7
SCHEMBL7169246 0.75 LOXL2 (0.69) HRH3HRH4LOXL2CHRNA7
SCHEMBL5935752 0.73 LOXL2 (0.46) HRH4SSTR1SSTR2SSTR4SSTR3
SCHEMBL4069939 0.73 TDP1 (0.64) HRH3HRH4IDO1

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-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed