SCHEMBL29425245

SCHEMBL29425245

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](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 1/20 0.62
▸ C5AR1 P21730 2/20 0.61
▸ CXCR4 P61073 6/20 0.60
▸ ABCC2 Q92887 1/20 0.60
▸ KISS1R Q969F8 4/20 0.59
▸ MC4R P32245 2/20 0.58
▸ MC5R P33032 2/20 0.58
▸ MC3R P41968 2/20 0.58
▸ MC1R Q01726 2/20 0.58
▸ PTGS1 P23219 1/20 0.56
▸ NPBWR1 P48145 1/20 0.56
▸ NPY1R P25929 1/20 0.56
▸ NPY2R P49146 1/20 0.56
▸ NPY4R P50391 1/20 0.56
▸ NPY5R Q15761 1/20 0.56

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
SCHEMBL29619534 0.97 GNRHR (0.65) GNRHRC5AR1CXCR4ABCC2KISS1R
SCHEMBL11321166 0.95 GNRHR (0.63) GNRHRC5AR1CXCR4ABCC2KISS1R
SCHEMBL34464914 0.92 GNRHR (0.60) GNRHRC5AR1CXCR4ABCC2KISS1R
SCHEMBL29425254 0.91 C5AR1 (0.69) GNRHRC5AR1CXCR4ABCC2KISS1R
SCHEMBL29697181 0.91 CXCR4 (0.66) C5AR1CXCR4KISS1RMC4RMC5R
SCHEMBL30387715 0.91 KISS1R (0.62) GNRHRC5AR1CXCR4ABCC2KISS1R
SCHEMBL29942618 0.91 C5AR1 (0.64) GNRHRC5AR1CXCR4ABCC2KISS1R
SCHEMBL30271248 0.91 C5AR1 (0.64) GNRHRC5AR1CXCR4ABCC2KISS1R
SCHEMBL11593491 0.90 KISS1R (0.56) GNRHRCXCR4ABCC2KISS1RPTGS1
SCHEMBL29942444 0.90 KISS1R (0.56) GNRHRCXCR4ABCC2KISS1RPTGS1

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