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SCHEMBL22288705

SCHEMBL22288705

CC(C)CC(NC(=O)C(COC(C)(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC(CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 13/20 0.57
▸ GNRHR P30968 1/20 0.54
▸ ABCC2 Q92887 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ CXCR4 P61073 2/20 0.52
▸ C5AR1 P21730 1/20 0.52

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
SCHEMBL22288702 1.00 KISS1R (0.57) KISS1RGNRHRABCC2PTGS1CXCR4
SCHEMBL34464914 0.95 GNRHR (0.60) KISS1RGNRHRABCC2PTGS1CXCR4
SCHEMBL29619534 0.90 GNRHR (0.65) KISS1RGNRHRABCC2PTGS1CXCR4
SCHEMBL30181849 0.89 C5AR1 (0.59) KISS1RGNRHRABCC2PTGS1CXCR4
SCHEMBL30387715 0.89 KISS1R (0.62) KISS1RGNRHRABCC2PTGS1CXCR4
Goserelin SCHEMBL25243029 0.88 GNRHR (0.63) GNRHRABCC2PTGS1C5AR1
Goserelin SCHEMBL13660188 0.88 GNRHR (0.63) GNRHRABCC2PTGS1C5AR1
Goserelin SCHEMBL7544569 0.88 GNRHR (0.63) GNRHRABCC2PTGS1C5AR1
Goserelin SCHEMBL8643 0.88 GNRHR (0.63) GNRHRABCC2PTGS1C5AR1
Goserelin SCHEMBL29833872 0.88 GNRHR (0.63) GNRHRABCC2PTGS1C5AR1

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
EP-3917568-A1 METHODS OF TREATING CASTRATE-RESISTANT PROSTATE CANCER Fondazione Per L'Istituto Oncologico Di Ricerca (IOR) (CH) 2021-12-08 — — EP disclosed
WO-2020157334-A1 METHODS OF TREATING CASTRATE-RESISTANT PROSTATE CANCER FONDAZIONE PER L'ISTITUTO ONCOLOGICO DI RICERCA (IOR) (CH) 2020-08-06 — — WO disclosed
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