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Sugi Predict / Compounds / SCHEMBL4577568

SCHEMBL4577568

SCHEMBL4577568

C[C@@H](C(=O)N1CCC1)c1cc(Cl)ccc1C1CCN(C(=O)C2CN(C(C)(C)C)CC2c2ccc(F)cc2F)CC1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 12/20 0.71
▸ MC3R P41968 4/20 0.71
▸ MC5R P33032 3/20 0.65
▸ PRCP P42785 8/20 0.64

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
SCHEMBL4576912 1.00 MC4R (0.71) MC4RMC3RMC5RPRCP
SCHEMBL4576906 1.00 MC4R (0.71) MC4RMC3RMC5RPRCP
SCHEMBL4592236 1.00 MC4R (0.71) MC4RMC3RMC5RPRCP
SCHEMBL4591012 1.00 MC4R (0.71) MC4RMC3RMC5RPRCP
SCHEMBL4591032 0.92 MC4R (0.69) MC4RMC3RMC5RPRCP
SCHEMBL5231964 0.90 MC4R (0.72) MC4RMC3RMC5RPRCP
SCHEMBL6190264 0.90 MC4R (0.72) MC4RMC3RMC5RPRCP
SCHEMBL4837427 0.90 MC4R (0.74) MC4RMC3RMC5RPRCP
SCHEMBL63838 0.87 MC4R (0.82) MC4RMC3RMC5RPRCP
SCHEMBL91100 0.87 MC4R (0.82) MC4RMC3RMC5RPRCP

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
EP-1534074-A4 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY MERCK & CO INC (US) 2008-01-09 — — EP claimed
EP-1534074-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY Merck & Co., Inc. (US) 2005-06-01 — — EP claimed
WO-2004009015-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY MERCK & CO., INC. (US) 2004-01-29 — — WO claimed