SCHEMBL29425255

SCHEMBL29425255

CC(C)C[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.68
▸ CXCR4 P61073 5/20 0.60
▸ MC4R P32245 3/20 0.59
▸ KISS1R Q969F8 1/20 0.56
▸ MC5R P33032 2/20 0.56
▸ MC3R P41968 2/20 0.56
▸ MC1R Q01726 2/20 0.56
▸ NPY1R P25929 1/20 0.55
▸ NPY2R P49146 1/20 0.55
▸ NPY4R P50391 1/20 0.55
▸ NPY5R Q15761 1/20 0.55
▸ GLP1R P43220 3/20 0.54
▸ GCGR P47871 3/20 0.54
▸ NMBR P28336 1/20 0.54
▸ GRPR P30550 1/20 0.54
▸ APLNR P35414 1/20 0.53

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
SCHEMBL29425254 0.95 C5AR1 (0.69) C5AR1CXCR4MC4RKISS1RMC5R
SCHEMBL29391110 0.94 C5AR1 (0.64) C5AR1CXCR4MC4RKISS1RMC5R
SCHEMBL29459900 0.92 C5AR1 (0.65) C5AR1CXCR4MC4RKISS1RNPY1R
Acetic Acid SCHEMBL29810985 0.92 C5AR1 (0.64) C5AR1CXCR4MC4RKISS1RMC5R
SCHEMBL30839204 0.90 GNRHR (0.64) C5AR1CXCR4MC4RMC5RMC3R
SCHEMBL29425251 0.90 GNRHR (0.64) C5AR1CXCR4MC4RMC5RMC3R
SCHEMBL29391874 0.90 C5AR1 (0.59) C5AR1CXCR4MC4RKISS1RMC5R
SCHEMBL11033870 0.90 C5AR1 (0.65) C5AR1CXCR4MC4RKISS1RMC5R
SCHEMBL31633744 0.90 C5AR1 (0.68) C5AR1CXCR4MC4RMC5RMC3R
SCHEMBL30181849 0.89 C5AR1 (0.59) C5AR1CXCR4MC4RKISS1RGLP1R

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
EP-3962927-A1 PEPTIDE DERIVATIVES AND CONJUGATES THEREOF FOR TREATING CANCER The University of Sydney (AU) 2022-03-09 — — EP disclosed
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