SCHEMBL30266728

SCHEMBL30266728

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.60
▸ KEAP1 Q14145 1/20 0.53
▸ OPRM1 P35372 4/20 0.52
▸ OPRD1 P41143 4/20 0.52
▸ CALCR P30988 4/20 0.52
▸ APLNR P35414 1/20 0.48
▸ CRHR1 P34998 1/20 0.48
▸ CRHR2 Q13324 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
SCHEMBL30974276 0.89 F2 (0.61) F2OPRM1OPRD1CALCRAPLNR
SCHEMBL30455333 0.86 F2 (0.52) F2OPRM1OPRD1CALCRAPLNR
SCHEMBL29794087 0.85 F2 (0.58) F2OPRM1OPRD1CALCRAPLNR
SCHEMBL31683309 0.85 CALCR (0.65) F2KEAP1CALCRCRHR1CRHR2
SCHEMBL31437675 0.84 REN (0.53) F2CALCR
SCHEMBL30480492 0.84 OPRM1 (0.55) OPRM1OPRD1
SCHEMBL30480493 0.84 OPRM1 (0.55) OPRM1OPRD1
SCHEMBL6516908 0.84 REN (0.58) OPRM1OPRD1
SCHEMBL29525618 0.84 REN (0.58) OPRM1OPRD1
SCHEMBL16684358 0.84 F2 (0.65) F2KEAP1OPRM1OPRD1CALCR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110776557-B Polypeptide and application thereof, and DPP-IV inhibitor or hypoglycemic drug or health product 中国科学院大连化学物理研究所 2023-02-28 — — CN claimed
CN-110776557-B Polypeptide and application thereof, and DPP-IV inhibitor or hypoglycemic drug or health product 中国科学院大连化学物理研究所 2023-02-28 — — CN disclosed
CN-110776557-B Polypeptide and application thereof, and DPP-IV inhibitor or hypoglycemic drug or health product 中国科学院大连化学物理研究所 2023-02-28 — — CN disclosed
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