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SCHEMBL18116805

SCHEMBL18116805

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(CCC)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)O)C(C)C)C(=O)CN(CCC)C(=O)CN(CC=C)C(=O)CN(CCOC)C(=O)CN(C(C)=O)C(C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 3/20 0.53
▸ MC5R P33032 2/20 0.53
▸ MC3R P41968 2/20 0.53
▸ MC1R Q01726 2/20 0.53
▸ CTSL P07711 3/20 0.51
▸ CTSS P25774 3/20 0.51
▸ CTSK P43235 3/20 0.51
▸ CTSH P09668 1/20 0.51
▸ C5AR1 P21730 2/20 0.51
▸ GLP1R P43220 4/20 0.49
▸ CXCL8 P10145 5/20 0.47
▸ GCGR P47871 3/20 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
SCHEMBL16455368 0.95 MC4R (0.54) MC4RMC5RMC3RMC1RCTSL
SCHEMBL18388911 0.92 MC4R (0.59) MC4RMC5RMC3RMC1RCTSL
SCHEMBL16455562 0.92 MC4R (0.54) MC4RMC5RMC3RMC1RCTSL
SCHEMBL18388625 0.88 MC4R (0.56) MC4RMC5RMC3RMC1RCTSL
SCHEMBL16455561 0.87 MC4R (0.61) MC4RMC5RMC3RMC1RCTSL
SCHEMBL16455232 0.84 MC4R (0.62) MC4RMC5RMC3RMC1RCTSL
SCHEMBL18388638 0.79 C5AR1 (0.74) MC4RMC5RMC3RMC1RCTSL
Alsactide SCHEMBL29406207 0.79 C5AR1 (0.74) MC4RMC5RMC3RMC1RCTSL
SCHEMBL18388626 0.79 MC4R (0.52) MC4RMC5RMC3RMC1RCTSL
Giractide SCHEMBL29387618 0.78 MC4R (0.75) MC4RMC5RMC3RMC1RCTSL

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-9458449-B2 Hybrid polymers, pharmaceutical compositions and methods of synthesizing the same NEW YORK UNIVERSITY (US) 2016-10-04 — — US disclosed
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