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SCHEMBL16455368

SCHEMBL16455368

C#CCN(CC(=O)N(CCOC)CC(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)O)C(C)C)C(=O)CN(CCC)C(=O)CN(CC=C)C(=O)CC(CCOC)C(=O)CN(C(C)=O)C(C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 3/20 0.54
▸ MC5R P33032 2/20 0.54
▸ MC3R P41968 2/20 0.54
▸ MC1R Q01726 2/20 0.54
▸ C5AR1 P21730 2/20 0.52
▸ GLP1R P43220 4/20 0.51
▸ GCGR P47871 3/20 0.48
▸ CTSL P07711 3/20 0.48
▸ CTSS P25774 3/20 0.48
▸ CTSK P43235 3/20 0.48
▸ CTSH P09668 1/20 0.48
▸ CXCR4 P61073 2/20 0.47
▸ IL23R Q5VWK5 1/20 0.47
▸ NMBR P28336 1/20 0.47
▸ GRPR P30550 1/20 0.47
▸ APLNR P35414 1/20 0.46

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
SCHEMBL16455562 0.96 MC4R (0.54) MC4RMC5RMC3RMC1RC5AR1
SCHEMBL18116805 0.95 MC4R (0.53) MC4RMC5RMC3RMC1RC5AR1
SCHEMBL18388911 0.91 MC4R (0.59) MC4RMC5RMC3RMC1RC5AR1
SCHEMBL18388625 0.88 MC4R (0.56) MC4RMC5RMC3RMC1RC5AR1
SCHEMBL16455561 0.87 MC4R (0.61) MC4RMC5RMC3RMC1RC5AR1
SCHEMBL16455232 0.85 MC4R (0.62) MC4RMC5RMC3RMC1RC5AR1
SCHEMBL18388638 0.81 C5AR1 (0.74) MC4RMC5RMC3RMC1RC5AR1
Alsactide SCHEMBL29406207 0.80 C5AR1 (0.74) MC4RMC5RMC3RMC1RC5AR1
Giractide SCHEMBL29387618 0.80 MC4R (0.75) MC4RMC5RMC3RMC1RC5AR1
SCHEMBL29358645 0.79 MC4R (0.82) MC4RMC5RMC3RMC1RC5AR1

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-20150044189-A1 HYBRID POLYMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF SYNTHESIZING THE SAME NEW YORK UNIVERSITY 2015-02-12 — — US disclosed
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