SCHEMBL18116804

SCHEMBL18116804

CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NTSR2 O95665 1/20 0.54
▸ NTSR1 P30989 1/20 0.54
▸ SORT1 Q99523 1/20 0.54
▸ CXCR4 P61073 3/20 0.52
▸ DPP3 Q9NY33 5/20 0.52
▸ TACR1 P25103 1/20 0.49
▸ C5AR1 P21730 2/20 0.49
▸ MC4R P32245 2/20 0.49
▸ MC5R P33032 2/20 0.49
▸ MC3R P41968 2/20 0.49
▸ MC1R Q01726 2/20 0.49
▸ IL23R Q5VWK5 1/20 0.48

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
SCHEMBL29973187 0.91 CXCR4 (0.56) NTSR2NTSR1SORT1CXCR4DPP3
SCHEMBL29556676 0.90 CXCR4 (0.55) NTSR2NTSR1SORT1CXCR4DPP3
SCHEMBL31737281 0.89 CXCR4 (0.55) NTSR2NTSR1SORT1CXCR4DPP3
SCHEMBL16455572 0.87 MC4R (0.65) CXCR4C5AR1MC4RMC5RMC3R
SCHEMBL21386009 0.85 IL23R (0.61) CXCR4TACR1C5AR1MC4RMC5R
SCHEMBL16455231 0.85 C5AR1 (0.68) CXCR4C5AR1MC4RMC5RMC3R
SCHEMBL31191176 0.83 C5AR1 (0.64) NTSR2NTSR1SORT1CXCR4C5AR1
SCHEMBL31475683 0.83 CXCR4 (0.55) NTSR2NTSR1SORT1CXCR4TACR1
SCHEMBL13880088 0.83 MC4R (0.54) NTSR2NTSR1SORT1CXCR4DPP3
SCHEMBL31650786 0.83 MC4R (0.64) NTSR2NTSR1SORT1CXCR4TACR1

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
Send feedback