SCHEMBL30442994

SCHEMBL30442994

CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC(=O)O)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DPP3 Q9NY33 5/20 0.56
▸ NTSR2 O95665 1/20 0.55
▸ NTSR1 P30989 1/20 0.55
▸ SORT1 Q99523 1/20 0.55
▸ CAPN1 P07384 2/20 0.53
▸ CTSB P07858 2/20 0.53
▸ KISS1R Q969F8 3/20 0.50
▸ F13A1 P00488 2/20 0.50
▸ TGM2 P21980 2/20 0.50
▸ CALCRL Q16602 1/20 0.48
▸ REN P00797 1/20 0.48
▸ ERAP2 Q6P179 1/20 0.47
▸ CXCR4 P61073 1/20 0.47

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
SCHEMBL32681272 0.91 DPP3 (0.62) DPP3NTSR2NTSR1SORT1CAPN1
SCHEMBL30093405 0.88 F13A1 (0.58) DPP3NTSR2NTSR1SORT1CAPN1
SCHEMBL29713766 0.88 DPP3 (0.63) DPP3NTSR2NTSR1SORT1CAPN1
SCHEMBL30209475 0.88 DPP3 (0.55) DPP3NTSR2NTSR1SORT1CAPN1
SCHEMBL29555002 0.87 CAPN1 (0.54) DPP3CAPN1CTSBCALCRLCXCR4
SCHEMBL32681280 0.86 DPP3 (0.59) DPP3NTSR2NTSR1SORT1CAPN1
SCHEMBL30051283 0.86 DPP3 (0.61) DPP3NTSR2NTSR1SORT1CAPN1
SCHEMBL1027785 0.86 CAPN1 (0.53) DPP3NTSR2NTSR1SORT1CAPN1
SCHEMBL30633418 0.86 DPP3 (0.60) DPP3CAPN1CTSBKISS1RCXCR4
SCHEMBL30224116 0.86 CAPN1 (0.64) DPP3NTSR2NTSR1SORT1CAPN1

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
CN-116726183-A Compositions and methods for treating cancers associated with ETBR activation ENB治疗公司 2023-09-12 — — CN disclosed
CN-108025035-B Compositions and methods for treating cancers associated with ETBR activation ENB治疗公司 2023-06-13 — — CN disclosed
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