SCHEMBL13739916

SCHEMBL13739916

N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C(=O)CCCCCCCCNC1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.61
OPRD1 P41143 1/20 0.61
MC4R P32245 11/20 0.55
MC3R P41968 8/20 0.55
MC5R P33032 7/20 0.55
MC1R Q01726 5/20 0.48
TSLP Q969D9 3/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
KRAS P01116 1/20 0.45
DRD2 P14416 1/20 0.45

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
SCHEMBL13478156 1.00 OPRM1 (0.61) OPRM1OPRD1MC4RMC3RMC5R
SCHEMBL12706706 1.00 OPRM1 (0.61) OPRM1OPRD1MC4RMC3RMC5R
SCHEMBL19831554 0.90 OPRM1 (0.61) OPRM1OPRD1MC4RMC3RMC5R
SCHEMBL23318156 0.88 OPRM1 (0.64) OPRM1OPRD1MC4RMC3RMC5R
SCHEMBL12706643 0.88 OPRM1 (0.52) OPRM1OPRD1MC4RMC3RMC5R
SCHEMBL23317973 0.86 OPRM1 (0.58) OPRM1OPRD1MC4RMC3RMC5R
SCHEMBL12971657 0.85 TSLP (0.48) OPRM1OPRD1MC4RMC3RMC5R
SCHEMBL13121285 0.85 TSLP (0.48) OPRM1OPRD1MC4RMC3RMC5R
SCHEMBL12728079 0.85 TSLP (0.48) OPRM1OPRD1MC4RMC3RMC5R
SCHEMBL13478113 0.84 KLKB1 (0.48) OPRM1OPRD1MC4RMC3RMC5R

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-7579432-B2 Cyclic peptides as G-protein-coupled receptor antagonists PROMICS PTY LIMITED (AU) 2009-08-25 US disclosed