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Sugi Predict / Compounds / SCHEMBL2315452

SCHEMBL2315452

SCHEMBL2315452

CCCC(=O)C1(C2CCCCC2)CCN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)NCCc2cnc[nH]2)CC1.CCOC(=O)C1(C2CCCCC2)CCN(C(=O)C(Cc2ccccc2)NC(=O)NCCc2c[nH]cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MC1R Q01726 12/20 0.51
▸ MC4R P32245 11/20 0.51
▸ MC5R P33032 8/20 0.51
▸ MC3R P41968 8/20 0.51
▸ P2RY12 Q9H244 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ REN P00797 3/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ MMP1 P03956 1/20 0.34
▸ MMP3 P08254 1/20 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
SCHEMBL2320057 0.92 MC4R (0.41) MC1RMC4RMC5RMC3RHTT
SCHEMBL2315105 0.91 KMT2A (0.43) MC1RMC4RMC5RMC3RHTT
SCHEMBL12814064 0.91 KMT2A (0.43) MC1RMC4RMC5RMC3RHTT
SCHEMBL2322630 0.89 HTT (0.41) MC1RMC4RMC5RMC3RHTT
SCHEMBL2320749 0.89 MC1R (0.47) MC1RMC4RMC5RMC3RREN
SCHEMBL1307814 0.89 MC4R (0.43) MC1RMC4RMC5RMC3RHTT
SCHEMBL1307815 0.89 MC4R (0.43) MC1RMC4RMC5RMC3RHTT
SCHEMBL1308356 0.89 MC1R (0.56) MC1RMC4RMC5RMC3RHTT
SCHEMBL1310141 0.89 MC4R (0.43) MC1RMC4RMC5RMC3RHTT
SCHEMBL2315290 0.89 MC4R (0.43) MC1RMC4RMC5RMC3RHTT

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