SCHEMBL3666201

SCHEMBL3666201

CC(C)(C)C(c1cc2c(cn1)OCCO2)N(C(=O)O)C1CCc2cc(Br)ccc2C1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
MCHR1 Q99705 2/20 0.31
HTR2C P28335 1/20 0.31
KCNH2 Q12809 1/20 0.31
CYP11B2 P19099 1/20 0.31
PPARA Q07869 1/20 0.31
FAAH O00519 1/20 0.30

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
SCHEMBL3020658 1.00 TSHR (0.31) TSHRMCHR1HTR2CKCNH2CYP11B2
SCHEMBL3668331 0.90 TSHR (0.31) TSHRMCHR1HTR2CKCNH2
SCHEMBL3670277 0.79 KCNH2 (0.32) KCNH2
SCHEMBL3028019 0.75 MCHR1 (0.35) MCHR1HTR2CKCNH2FAAH
SCHEMBL3020655 0.73 MCHR1 (0.34) MCHR1HTR2CKCNH2PPARA
SCHEMBL3804841 0.69 KCNH2 (0.39) KCNH2
SCHEMBL589241 0.69 FAAH (0.40) MCHR1KCNH2FAAH
SCHEMBL3149833 0.68 KCNH2 (0.43) KCNH2
SCHEMBL3840641 0.68 KCNH2 (0.51) KCNH2
SCHEMBL3013221 0.64 MCHR1 (0.35) MCHR1HTR2CKCNH2

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-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed