SCHEMBL29425254

SCHEMBL29425254

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)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

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.69
▸ CXCR4 P61073 5/20 0.61
▸ GNRHR P30968 1/20 0.57
▸ MC4R P32245 2/20 0.57
▸ NPY1R P25929 1/20 0.57
▸ NPY2R P49146 1/20 0.57
▸ NPY4R P50391 1/20 0.57
▸ NPY5R Q15761 1/20 0.57
▸ KISS1R Q969F8 1/20 0.56
▸ MC5R P33032 1/20 0.56
▸ MC3R P41968 1/20 0.56
▸ MC1R Q01726 1/20 0.56
▸ ABCC2 Q92887 1/20 0.56
▸ NMBR P28336 1/20 0.56
▸ GRPR P30550 1/20 0.56
▸ APLNR P35414 1/20 0.55
▸ GLP1R P43220 2/20 0.55
▸ GCGR P47871 2/20 0.55

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
SCHEMBL29459900 0.97 C5AR1 (0.65) C5AR1CXCR4GNRHRMC4RNPY1R
Acetic Acid SCHEMBL29810985 0.96 C5AR1 (0.64) C5AR1CXCR4GNRHRMC4RNPY1R
SCHEMBL29425255 0.95 C5AR1 (0.68) C5AR1CXCR4MC4RNPY1RNPY2R
SCHEMBL11033870 0.94 C5AR1 (0.65) C5AR1CXCR4GNRHRMC4RNPY1R
SCHEMBL29942618 0.94 C5AR1 (0.64) C5AR1CXCR4GNRHRMC4RKISS1R
SCHEMBL30271248 0.94 C5AR1 (0.64) C5AR1CXCR4GNRHRMC4RKISS1R
Acetic Acid SCHEMBL29811007 0.93 C5AR1 (0.64) C5AR1CXCR4GNRHRMC4RNPY1R
SCHEMBL29425245 0.91 GNRHR (0.62) C5AR1CXCR4GNRHRMC4RNPY1R
SCHEMBL29425250 0.91 GNRHR (0.70) C5AR1CXCR4GNRHRABCC2APLNR
SCHEMBL29750088 0.91 C5AR1 (0.72) C5AR1CXCR4MC4RNPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220211860-A1 PEPTIDE DERIVATIVES AND CONJUGATES THEREOF FOR TREATING CANCER THE UNIVERSITY OF SYDNEY (AU) 2022-07-07 — — US claimed
US-20220211860-A1 PEPTIDE DERIVATIVES AND CONJUGATES THEREOF FOR TREATING CANCER THE UNIVERSITY OF SYDNEY (AU) 2022-07-07 — — US disclosed
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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