SCHEMBL5953420

SCHEMBL5953420

CCCc1c(OCCCC(=O)N(C)C)ccc2c(CC(C)(C)C)noc12

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.56
NR1H2 P55055 7/20 0.48
NR1H3 Q13133 7/20 0.48
PPARG P37231 13/20 0.47
PPARD Q03181 13/20 0.47
PPARA Q07869 13/20 0.47

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
SCHEMBL5953747 0.89 GRM2 (0.59) GRM2NR1H2NR1H3PPARGPPARD
SCHEMBL6368217 0.89 GRM2 (0.59) GRM2NR1H2NR1H3PPARGPPARD
SCHEMBL5954097 0.86 GRM2 (0.56) GRM2NR1H2NR1H3PPARGPPARD
SCHEMBL6367383 0.85 GRM2 (0.55) GRM2NR1H2NR1H3PPARGPPARD
SCHEMBL5953437 0.84 GRM2 (0.54) GRM2NR1H2NR1H3PPARGPPARD
SCHEMBL6366557 0.83 NR1H3 (0.67) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL6100087 0.82 GRM2 (0.63) GRM2NR1H2NR1H3PPARGPPARD
SCHEMBL5807237 0.82 GRM2 (0.56) GRM2NR1H2NR1H3PPARGPPARD
SCHEMBL7041409 0.81 GRM2 (0.57) GRM2NR1H2NR1H3PPARGPPARD
SCHEMBL5953445 0.80 GRM2 (0.56) GRM2NR1H2NR1H3PPARGPPARD

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
US-20060020036-A1 Methods and compositions to promote bone homestasis GALAPAGOS N.V. (BE) 2006-01-26 US disclosed