SCHEMBL30509011

SCHEMBL30509011

N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR132 Q9UNW8 2/20 0.50
▸ KISS1R Q969F8 3/20 0.47
▸ HDAC8 Q9BY41 1/20 0.46
▸ TBXAS1 P24557 3/20 0.43
▸ MME P08473 1/20 0.43
▸ MMP12 P39900 1/20 0.42
▸ GNRHR P30968 1/20 0.42
▸ KLKB1 P03952 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CA2 P00918 1/20 0.41
▸ GNPAT O15228 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41

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
SCHEMBL29647938 0.92 GNRHR (0.50) GPR132KISS1RMMEGNRHROPRM1
SCHEMBL29413325 0.89 MME (0.49) GPR132KISS1RHDAC8TBXAS1MME
SCHEMBL29383060 0.89 MME (0.49) GPR132KISS1RHDAC8TBXAS1MME
SCHEMBL29615239 0.88 GPR132 (0.51) GPR132KISS1RTBXAS1MMEGNPAT
SCHEMBL29816805 0.87 KISS1R (0.52) GPR132KISS1RMMEOPRM1OPRD1
SCHEMBL30038541 0.86 GNRHR (0.50) GPR132KISS1RMMEGNRHROPRM1
SCHEMBL29390652 0.86 MME (0.49) GPR132KISS1RMMEGNRHRCA2
SCHEMBL21508032 0.86 HDAC8 (0.49) GPR132HDAC8TBXAS1MMP12KLKB1
Trifluoroacetic Acid SCHEMBL2367272 0.85 MME (0.46) GPR132KISS1RTBXAS1MMEKDM4E
SCHEMBL4198783 0.84 GPR132 (0.52) GPR132TBXAS1MMEKDM4E

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
CN-109929007-B Preparation method of degarelix key dipeptide intermediate 连云港恒运药业有限公司 2023-07-28 — — CN disclosed
CN-109929012-B Preparation method of degarelix key tetrapeptide intermediate 连云港恒运药业有限公司 2023-07-28 — — CN disclosed
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