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Sugi Predict / Compounds / SCHEMBL6179328

SCHEMBL6179328

SCHEMBL6179328

CC(C)(C)OC(=O)N=C(NCCCC1CC(OCc2ccc3ccccc3c2)CCN1C(=O)C(N)Cc1ccc(F)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MC3R P41968 18/20 0.49
▸ MC4R P32245 17/20 0.49
▸ MC1R Q01726 17/20 0.49
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ CCR3 P51677 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34

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
SCHEMBL6179319 0.90 MC3R (0.59) MC3RMC4RMC1R
SCHEMBL5998788 0.83 MC3R (0.47) MC3RMC4RMC1R
SCHEMBL27609302 0.80 MC3R (0.60) MC3RMC4RMC1R
SCHEMBL5996424 0.73 MC4R (0.56) MC3RMC4RMC1R
SCHEMBL5994459 0.72 MC4R (0.45) MC3RMC4RMC1R
SCHEMBL5994464 0.72 MC4R (0.45) MC3RMC4RMC1R
SCHEMBL14598318 0.67 CTSS (0.43) —
SCHEMBL22473855 0.66 CTSS (0.48) —
SCHEMBL16948253 0.66 CTSS (0.48) —
SCHEMBL14007666 0.66 ABCB1 (0.46) —

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-1390361-A4 MELANOCORTIN RECEPTOR LIGANDS PROCTER & GAMBLE (US) 2005-10-05 — — EP disclosed
EP-1390361-A2 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2004-02-25 — — EP disclosed
WO-2002085925-A2 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2002-10-31 — — WO disclosed