SCHEMBL31555126

SCHEMBL31555126

N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 5/20 0.49
▸ C5AR1 P21730 1/20 0.49
▸ GHSR Q92847 2/20 0.49
▸ KISS1R Q969F8 4/20 0.48
▸ TUBB4A P04350 1/20 0.48
▸ TUBB P07437 1/20 0.48
▸ TUBA3C P0DPH7 1/20 0.48
▸ TUBA1B P68363 1/20 0.48
▸ TUBA4A P68366 1/20 0.48
▸ TUBB4B P68371 1/20 0.48
▸ TUBB3 Q13509 1/20 0.48
▸ TUBB2A Q13885 1/20 0.48
▸ TUBB8 Q3ZCM7 1/20 0.48
▸ TUBA3E Q6PEY2 1/20 0.48
▸ TUBA1A Q71U36 1/20 0.48
▸ TUBA1C Q9BQE3 1/20 0.48
▸ TUBB6 Q9BUF5 1/20 0.48
▸ TUBB2B Q9BVA1 1/20 0.48
▸ TUBB1 Q9H4B7 1/20 0.48
▸ OPRM1 P35372 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
SCHEMBL29476499 0.98 MC4R (0.50) MC4RC5AR1GHSRKISS1RTUBB4A
SCHEMBL30725663 0.96 MC4R (0.49) MC4RC5AR1GHSRKISS1RTUBB4A
SCHEMBL29476562 0.95 MC4R (0.50) MC4RC5AR1GHSRKISS1RTUBB4A
SCHEMBL29476617 0.95 MC4R (0.50) MC4RC5AR1GHSRKISS1RTUBB4A
SCHEMBL29476471 0.95 C5AR1 (0.50) MC4RC5AR1GHSRKISS1RTUBB4A
SCHEMBL30104393 0.95 CTSL (0.47) MC4RC5AR1UTS2R
SCHEMBL30264960 0.94 CTSL (0.49) MC4RC5AR1KISS1RTUBB4ATUBB
SCHEMBL30264726 0.94 GHSR (0.53) MC4RC5AR1GHSRKISS1R
SCHEMBL29476431 0.94 GHSR (0.53) MC4RC5AR1GHSRKISS1R
SCHEMBL31555133 0.94 MC4R (0.52) MC4RC5AR1GHSRKISS1RTUBB4A

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
WO-2025091122-A1 CYCLIC PEPTIDE ANALOGS OF MELANOCORTIN AND USES THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2025-05-08 — — WO disclosed
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