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SCHEMBL29385997

SCHEMBL29385997

CSCCC(NC(=O)C(CO)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CO)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(C(=O)O)C(C)C

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 3/20 0.84
▸ MC5R P33032 2/20 0.84
▸ MC3R P41968 2/20 0.84
▸ MC1R Q01726 2/20 0.84
▸ CXCR4 P61073 8/20 0.68
▸ PTH1R Q03431 7/20 0.67
▸ C5AR1 P21730 1/20 0.65
▸ NPY1R P25929 1/20 0.64
▸ NPY2R P49146 1/20 0.64
▸ NPY4R P50391 1/20 0.64
▸ NPY5R Q15761 1/20 0.64

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
SCHEMBL29382991 1.00 MC4R (0.84) MC4RMC5RMC3RMC1RCXCR4
SCHEMBL29622934 0.98 MC4R (0.83) MC4RMC5RMC3RMC1RCXCR4
SCHEMBL31477752 0.97 MC4R (0.83) MC4RMC5RMC3RMC1RCXCR4
SCHEMBL29519503 0.97 MC4R (0.81) MC4RMC5RMC3RMC1RCXCR4
Cosyntropin SCHEMBL33367 0.96 MC4R (0.81) MC4RMC5RMC3RMC1RCXCR4
Cosyntropin SCHEMBL29410267 0.96 MC4R (0.81) MC4RMC5RMC3RMC1RCXCR4
Cosyntropin SCHEMBL15960130 0.96 MC4R (0.81) MC4RMC5RMC3RMC1RCXCR4
Alsactide SCHEMBL1649355 0.94 MC4R (0.84) MC4RMC5RMC3RMC1RCXCR4
Intermedine SCHEMBL20548029 0.94 MC4R (0.93) MC4RMC5RMC3RMC1RCXCR4
Intermedine SCHEMBL29380794 0.94 MC4R (0.93) MC4RMC5RMC3RMC1RCXCR4

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-2022027110-A1 COMBINATION OF TRIDECACTIDE AND METHENKEPHALIN FOR TREATING CONDITIONS INVOLVING CYTOKINE STORM BOSNALIJEK, FARMACEUTSKA I HEMIJSKA INDUSTRIJA, DIONIČKO DRUŠTVO (BA) 2022-02-10 — — WO disclosed