SCHEMBL31447256

SCHEMBL31447256

CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C(=N)N)[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 10/20 0.76
▸ DRD1 P21728 1/20 0.76
▸ OPRM1 P35372 1/20 0.76
▸ MRGPRX2 Q96LB1 1/20 0.76
▸ ABCB11 O95342 1/20 0.75

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
Cetrorelix SCHEMBL29887354 0.92 GNRHR (0.89) GNRHRDRD1OPRM1MRGPRX2ABCB11
Cetrorelix SCHEMBL30742606 0.92 GNRHR (0.89) GNRHRDRD1OPRM1MRGPRX2ABCB11
Cetrorelix SCHEMBL30882994 0.92 GNRHR (0.89) GNRHRDRD1OPRM1MRGPRX2ABCB11
Cetrorelix SCHEMBL24040296 0.92 GNRHR (0.89) GNRHRDRD1OPRM1MRGPRX2ABCB11
Cetrorelix SCHEMBL30883014 0.92 GNRHR (0.89) GNRHRDRD1OPRM1MRGPRX2ABCB11
Cetrorelix SCHEMBL24040297 0.92 GNRHR (0.89) GNRHRDRD1OPRM1MRGPRX2ABCB11
Cetrorelix SCHEMBL571416 0.92 GNRHR (0.89) GNRHRDRD1OPRM1MRGPRX2ABCB11
Cetrorelix SCHEMBL24040283 0.92 GNRHR (0.89) GNRHRDRD1OPRM1MRGPRX2ABCB11
Cetrorelix SCHEMBL30882997 0.92 GNRHR (0.89) GNRHRDRD1OPRM1MRGPRX2ABCB11
Cetrorelix SCHEMBL61331 0.92 GNRHR (0.89) GNRHRDRD1OPRM1MRGPRX2ABCB11

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-119698285-A Use of GnRH antagonists for synchronizing follicular wave appearance in mammals 萨斯喀彻温大学 2025-03-25 — — CN disclosed
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