SCHEMBL28613560

SCHEMBL28613560

CC(C)C[C@@H](N)C(=O)N[C@H](CCCCNC(C)CC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NTSR2 O95665 4/20 0.39
▸ NTSR1 P30989 4/20 0.39
▸ APLNR P35414 1/20 0.39
▸ NMUR2 Q9GZQ4 2/20 0.38
▸ NMUR1 Q9HB89 2/20 0.38
▸ GNRHR P30968 3/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ NPY1R P25929 1/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ NPY4R P50391 1/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ CAPN1 P07384 2/20 0.37

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
SCHEMBL29383471 0.87 GNRHR (0.45) NTSR2NTSR1APLNRGNRHRCAPN1
SCHEMBL29615168 0.87 GNRHR (0.45) NTSR2NTSR1APLNRGNRHRCAPN1
SCHEMBL8773027 0.83 APLNR (0.43) NTSR2NTSR1APLNRNMUR2NMUR1
SCHEMBL29391291 0.81 GNRHR (0.47) NTSR2NTSR1GNRHR
SCHEMBL30440639 0.79 OPRM1 (0.47) APLNRNMUR2NMUR1NPY1RNPY2R
SCHEMBL30440642 0.79 OPRM1 (0.47) APLNRNMUR2NMUR1NPY1RNPY2R
Acetic Acid SCHEMBL30440885 0.77 OPRM1 (0.48) APLNRNMUR2NMUR1
SCHEMBL14172897 0.76 APLNR (0.43) APLNRNMUR2NMUR1GNRHRCAPN1
SCHEMBL32670190 0.76 OPRK1 (0.61) NMUR2NMUR1GNRHR
SCHEMBL30423100 0.75 APLNR (0.45) NTSR2NTSR1APLNRNMUR2NMUR1

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
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
CN-107955061-B Preparation method of degarelix key intermediate 连云港恒运药业有限公司 2021-07-30 — — CN disclosed
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