SCHEMBL29590609

SCHEMBL29590609

CCN(CC)C(=N)NCCCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.42
▸ NRP1 O14786 2/20 0.42
▸ NTSR2 O95665 6/20 0.41
▸ NTSR1 P30989 6/20 0.41
▸ NMUR2 Q9GZQ4 1/20 0.41
▸ NMUR1 Q9HB89 1/20 0.41
▸ MMP1 P03956 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ GNRHR P30968 1/20 0.40
▸ NPY1R P25929 1/20 0.40

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
SCHEMBL30423100 0.89 APLNR (0.45) APLNRNRP1NTSR2NTSR1NMUR2
SCHEMBL29391291 0.88 GNRHR (0.47) NTSR2NTSR1MMP1MMP3GNRHR
SCHEMBL30440660 0.87 OPRM1 (0.46) NTSR2NTSR1NMUR2NMUR1
SCHEMBL30440639 0.81 OPRM1 (0.47) APLNRNMUR2NMUR1NPY1R
SCHEMBL30440642 0.81 OPRM1 (0.47) APLNRNMUR2NMUR1NPY1R
SCHEMBL29383471 0.81 GNRHR (0.45) APLNRNTSR2NTSR1GNRHR
SCHEMBL29615168 0.81 GNRHR (0.45) APLNRNTSR2NTSR1GNRHR
Acetic Acid SCHEMBL30440885 0.81 OPRM1 (0.48) APLNRNMUR2NMUR1
SCHEMBL29557983 0.79 OPRM1 (0.49) NTSR2NTSR1NMUR2NMUR1
SCHEMBL8773027 0.79 APLNR (0.43) APLNRNRP1NTSR2NTSR1NMUR2

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
CN-114478708-A Solid phase synthesis method of ganirelix fragment 南京汉欣医药科技有限公司 2022-05-13 — — CN disclosed
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