SCHEMBL29425251

SCHEMBL29425251

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]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 1/20 0.64
▸ ABCC2 Q92887 1/20 0.64
▸ PTGS1 P23219 1/20 0.64
▸ C5AR1 P21730 2/20 0.63
▸ APLNR P35414 5/20 0.58
▸ CXCR4 P61073 3/20 0.57
▸ MC4R P32245 2/20 0.54
▸ MC5R P33032 1/20 0.54
▸ MC3R P41968 1/20 0.54
▸ MC1R Q01726 1/20 0.54

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
SCHEMBL30839204 1.00 GNRHR (0.64) GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL31733948 0.97 GNRHR (0.67) GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL29857994 0.97 GNRHR (0.67) GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL30198868 0.97 GNRHR (0.66) GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL31135225 0.96 C5AR1 (0.64) GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL29425250 0.96 GNRHR (0.70) GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL30665146 0.95 GNRHR (0.65) GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL30773556 0.95 PTGS1 (0.71) GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL30839205 0.95 GNRHR (0.64) GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL6512254 0.95 PTGS1 (0.71) GNRHRABCC2PTGS1C5AR1APLNR

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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