SCHEMBL11321166

SCHEMBL11321166

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 2/20 0.63
▸ ABCC2 Q92887 1/20 0.61
▸ KISS1R Q969F8 4/20 0.60
▸ CXCR4 P61073 5/20 0.58
▸ PTGS1 P23219 1/20 0.57
▸ CXCL8 P10145 1/20 0.56
▸ EPHA2 P29317 1/20 0.56
▸ NPBWR1 P48145 2/20 0.55
▸ C5AR1 P21730 1/20 0.55
▸ NPY1R P25929 1/20 0.55
▸ NPY2R P49146 1/20 0.55
▸ NPY4R P50391 1/20 0.55
▸ NPY5R Q15761 1/20 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
SCHEMBL29619534 0.98 GNRHR (0.65) GNRHRABCC2KISS1RCXCR4PTGS1
SCHEMBL29425245 0.95 GNRHR (0.62) GNRHRABCC2KISS1RCXCR4PTGS1
SCHEMBL11793620 0.93 ABCC2 (0.64) GNRHRABCC2KISS1RCXCR4CXCL8
SCHEMBL34464914 0.93 GNRHR (0.60) GNRHRABCC2KISS1RCXCR4PTGS1
SCHEMBL30387715 0.92 KISS1R (0.62) GNRHRABCC2KISS1RCXCR4PTGS1
SCHEMBL29942618 0.91 C5AR1 (0.64) GNRHRABCC2KISS1RCXCR4PTGS1
SCHEMBL30271248 0.91 C5AR1 (0.64) GNRHRABCC2KISS1RCXCR4PTGS1
SCHEMBL29942444 0.91 KISS1R (0.56) GNRHRABCC2KISS1RCXCR4PTGS1
SCHEMBL11593491 0.91 KISS1R (0.56) GNRHRABCC2KISS1RCXCR4PTGS1
Hydrochloric Acid SCHEMBL11592749 0.90 KISS1R (0.55) GNRHRABCC2KISS1RCXCR4PTGS1

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
US-4272432-A Claudogenic-interceptive nonapeptide AMERICAN HOME PRODUCTS CORPORATION (US) 1981-06-09 — — US disclosed
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