SCHEMBL30467090

SCHEMBL30467090

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.52
▸ CTSB P07858 2/20 0.52
▸ CXCR4 P61073 7/20 0.52
▸ DPP3 Q9NY33 3/20 0.51
▸ CXCL8 P10145 4/20 0.49
▸ GNRHR P30968 1/20 0.49
▸ NTSR2 O95665 1/20 0.48
▸ NTSR1 P30989 1/20 0.48
▸ SORT1 Q99523 1/20 0.48
▸ ERAP2 Q6P179 1/20 0.48

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
SCHEMBL30523243 0.95 CXCR4 (0.54) CAPN1CTSBCXCR4CXCL8GNRHR
SCHEMBL31058451 0.91 CXCR4 (0.52) CAPN1CTSBCXCR4CXCL8NTSR2
SCHEMBL32677743 0.90 CXCR4 (0.52) CAPN1CTSBCXCR4CXCL8GNRHR
SCHEMBL31058453 0.89 GLP1R (0.55) —
SCHEMBL31347310 0.88 DPP3 (0.47) CAPN1CTSBCXCR4DPP3NTSR2
SCHEMBL31058456 0.88 C5AR1 (0.56) —
SCHEMBL31119468 0.88 C5AR1 (0.56) CXCR4
SCHEMBL31119461 0.88 C5AR1 (0.56) CXCR4
SCHEMBL30665211 0.88 C5AR1 (0.59) CXCR4
SCHEMBL30490787 0.87 CALCA (0.57) CXCL8

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-111423506-B GLP-1 compound 成都奥达生物科技有限公司 2023-06-27 — — CN disclosed
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