SCHEMBL12706643

SCHEMBL12706643

N=C(N)NCCC[C@@H]1CC(=O)[C@H](Cc2c[nH]c3ccccc23)N[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C(=O)CCCCNC1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
MC3R P41968 8/20 0.48
MC5R P33032 7/20 0.48
MC4R P32245 7/20 0.48
MC1R Q01726 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
KRAS P01116 1/20 0.40
TACR2 P21452 1/20 0.40

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 0.88 OPRM1 (0.61) OPRM1OPRD1MC3RMC5RMC4R
SCHEMBL12706706 0.88 OPRM1 (0.61) OPRM1OPRD1MC3RMC5RMC4R
SCHEMBL13739916 0.88 OPRM1 (0.61) OPRM1OPRD1MC3RMC5RMC4R
SCHEMBL12706637 0.84 MEN1 (0.46) MC3RMC5RMC4RMC1RHDAC3
SCHEMBL12706635 0.81 DRD2 (0.49) MC3RMC4RMC1RHDAC3HDAC4
SCHEMBL19831554 0.81 OPRM1 (0.61) OPRM1OPRD1MC3RMC5RMC4R
SCHEMBL23318156 0.79 OPRM1 (0.64) OPRM1OPRD1MC3RMC5RMC4R
SCHEMBL23317973 0.77 OPRM1 (0.58) OPRM1OPRD1MC3RMC5RMC4R
SCHEMBL29664052 0.76 MC3R (0.80) OPRM1OPRD1MC3RMC5RMC4R
SCHEMBL12971657 0.75 TSLP (0.48) OPRM1OPRD1MC3RMC5RMC4R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919459-B2 Cardiovascular disorders; antidiabetic agents; respiratory system disorders; antagonist of protein g receptor PROMICS PTY LIMITED (AU) 2011-04-05 US disclosed
US-7919459-B2 Cardiovascular disorders; antidiabetic agents; respiratory system disorders; antagonist of protein g receptor PROMICS PTY LIMITED (AU) 2011-04-05 US disclosed