SCHEMBL31357810

SCHEMBL31357810

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPP3 Q9NY33 5/20 0.57
▸ OPRD1 P41143 2/20 0.56
▸ CAPN1 P07384 2/20 0.55
▸ CTSB P07858 2/20 0.55
▸ TACR1 P25103 1/20 0.53
▸ NMUR2 Q9GZQ4 1/20 0.52
▸ NMUR1 Q9HB89 1/20 0.52
▸ KISS1R Q969F8 4/20 0.52
▸ NTSR2 O95665 1/20 0.52
▸ NTSR1 P30989 1/20 0.52
▸ SORT1 Q99523 1/20 0.52
▸ OPRM1 P35372 1/20 0.51
▸ IL23R Q5VWK5 1/20 0.50
▸ GNRHR P30968 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
SCHEMBL31579553 0.88 NTSR2 (0.56) DPP3OPRD1CAPN1CTSBTACR1
SCHEMBL29707524 0.85 C5AR1 (0.56) DPP3CAPN1CTSBTACR1IL23R
SCHEMBL29707517 0.84 C5AR1 (0.61) OPRD1TACR1OPRM1IL23R
SCHEMBL29707519 0.84 C5AR1 (0.56) CAPN1CTSBTACR1IL23R
SCHEMBL29707516 0.84 C5AR1 (0.61) OPRD1TACR1OPRM1IL23R
SCHEMBL30633418 0.84 DPP3 (0.60) DPP3OPRD1CAPN1CTSBTACR1
SCHEMBL29461598 0.83 DPP3 (0.56) DPP3OPRD1KISS1ROPRM1IL23R
SCHEMBL29974614 0.82 DPP3 (0.63) DPP3CAPN1CTSBKISS1RNTSR2
SCHEMBL31670646 0.82 DPP3 (0.54) DPP3OPRD1CAPN1CTSBTACR1
SCHEMBL31019423 0.81 CAPN1 (0.53) DPP3OPRD1CAPN1CTSBNTSR2

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-119638783-A Aminoglycoside phosphotransferase cyclic peptide inhibitors and uses thereof 上海交通大学 2025-03-18 — — CN claimed
CN-119638783-A Aminoglycoside phosphotransferase cyclic peptide inhibitors and uses thereof 上海交通大学 2025-03-18 — — CN disclosed
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