SCHEMBL31147129

SCHEMBL31147129

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 7/20 0.58
▸ KISS1R Q969F8 4/20 0.57
▸ NTSR2 O95665 1/20 0.53
▸ NTSR1 P30989 1/20 0.53
▸ SORT1 Q99523 1/20 0.53
▸ CAPN1 P07384 2/20 0.52
▸ CTSB P07858 2/20 0.52
▸ F13A1 P00488 1/20 0.51
▸ TGM2 P21980 1/20 0.51
▸ DPP3 Q9NY33 1/20 0.51
▸ CTSL P07711 2/20 0.50
▸ CTSS P25774 2/20 0.50
▸ CTSK P43235 2/20 0.50
▸ CTSH P09668 1/20 0.50

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
SCHEMBL31005883 0.95 KISS1R (0.57) CXCR4KISS1RNTSR2NTSR1SORT1
SCHEMBL29942444 0.91 KISS1R (0.56) CXCR4KISS1RNTSR2NTSR1SORT1
SCHEMBL11593491 0.91 KISS1R (0.56) CXCR4KISS1RNTSR2NTSR1SORT1
SCHEMBL30597309 0.91 DPP3 (0.57) CXCR4KISS1RNTSR2NTSR1SORT1
SCHEMBL32681280 0.91 DPP3 (0.59) KISS1RNTSR2NTSR1SORT1CAPN1
SCHEMBL30567818 0.90 KISS1R (0.58) CXCR4KISS1RNTSR2NTSR1SORT1
Hydrochloric Acid SCHEMBL11592749 0.90 KISS1R (0.55) CXCR4KISS1RNTSR2NTSR1SORT1
SCHEMBL1307858 0.90 KISS1R (0.58) CXCR4KISS1RNTSR2NTSR1SORT1
Hydrochloric Acid SCHEMBL11644315 0.90 KISS1R (0.57) CXCR4KISS1RNTSR2NTSR1SORT1
SCHEMBL38652302 0.89 CXCR4 (0.59) CXCR4KISS1RNTSR2NTSR1SORT1

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-118702772-A Pentapeptide for inhibiting dipeptidyl peptidase IV and application thereof 中新国际联合研究院 2024-09-27 — — CN claimed
CN-118702772-A Pentapeptide for inhibiting dipeptidyl peptidase IV and application thereof 中新国际联合研究院 2024-09-27 — — CN disclosed
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