SCHEMBL6561696

SCHEMBL6561696

CCCc1c(OCCCBr)ccc2c1ccn2CC

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.48
PPARG P37231 9/20 0.41
PPARA Q07869 6/20 0.41
PPARD Q03181 5/20 0.41

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
SCHEMBL6559854 0.78 GRM2 (0.38) GRM2PPARGPPARAPPARD
SCHEMBL6560541 0.71 HTR2C (0.36) GRM2
SCHEMBL10637215 0.69 SMN1; SMN2 (0.38) GRM2PPARGPPARAPPARD
SCHEMBL18362160 0.69 HTR6 (0.48) GRM2PPARGPPARAPPARD
SCHEMBL1998937 0.68 GRM2 (0.66) GRM2PPARGPPARAPPARD
SCHEMBL2001590 0.68 GRM2 (0.61) GRM2
SCHEMBL6935925 0.68 CYP1A2 (0.49) GRM2PPARGPPARAPPARD
SCHEMBL20655557 0.67 HTR6 (0.46) PPARGPPARAPPARD
SCHEMBL6560593 0.65 PPARA (0.60) PPARGPPARAPPARD
SCHEMBL6936012 0.65 CYSLTR2 (0.54) GRM2PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP disclosed
EP-0904079-A4 1999-05-06 EP disclosed
EP-0904079-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-03-31 EP disclosed
US-5859051-A ACETYLPHENOL DERIVATIVES MERCK & CO., INC. (US) 1999-01-12 US disclosed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed