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SCHEMBL2315649

SCHEMBL2315649

CCCCOC1(C2CCCCC2)CCN(C(=O)C(Cc2ccc(OC)cc2)N(C(=O)NCCc2c[nH]cn2)N(C(=O)NCCc2cnc[nH]2)C(Cc2ccc(OC)cc2)C(=O)N2CCC(C(=O)CCC)(C3CCCCC3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MC1R Q01726 6/20 0.41
▸ MC4R P32245 5/20 0.41
▸ MC5R P33032 1/20 0.41
▸ MC3R P41968 1/20 0.41
▸ POLB P06746 1/20 0.35
▸ RYR2 Q92736 1/20 0.33
▸ REN P00797 5/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HRH4 Q9H3N8 2/20 0.31
▸ HRH3 Q9Y5N1 2/20 0.31

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
SCHEMBL2320749 0.90 MC1R (0.47) MC1RMC4RMC5RMC3RPOLB
SCHEMBL3686984 0.87 MC4R (0.33) MC1RMC4RMC5RMC3RPOLB
SCHEMBL2319409 0.87 MC4R (0.35) MC1RMC4RMC5RMC3RPOLB
SCHEMBL2315161 0.86 MC4R (0.41) MC1RMC4RMC5RMC3R
SCHEMBL16447725 0.83 MC4R (0.36) MC1RMC4RMC5RMC3RPOLB
SCHEMBL15273491 0.83 MC4R (0.36) MC1RMC4RMC5RMC3RPOLB
SCHEMBL2319977 0.83 MC4R (0.35) MC1RMC4RMC5RMC3RPOLB
SCHEMBL12814374 0.83 MC4R (0.37) MC1RMC4RMC5RMC3RPOLB
SCHEMBL16447753 0.81 TP53 (0.34) MC1RMC4RMC5RMC3RPOLB
SCHEMBL15273376 0.81 TP53 (0.34) MC1RMC4RMC5RMC3RPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352728-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS Galderma Research & Development (FR) 2011-08-10 — — EP claimed
WO-2010052255-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-05-14 — — WO claimed
EP-2352728-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS Galderma Research & Development (FR) 2011-08-10 — — EP disclosed
WO-2010052255-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-05-14 — — WO disclosed