SCHEMBL30641906

SCHEMBL30641906

N=C(N)NCCC[C@H](NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.52
▸ NPBWR1 P48145 1/20 0.52
▸ ACE P12821 2/20 0.51
▸ MC4R P32245 2/20 0.49
▸ CCKAR P32238 1/20 0.49
▸ CCKBR P32239 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ PRKACB P22694 1/20 0.48
▸ ECE1 P42892 3/20 0.48
▸ LTA4H P09960 1/20 0.48
▸ P2RY14 Q15391 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
SCHEMBL30641910 0.94 NPBWR1 (0.52) NPBWR1PRKACB
SCHEMBL30641905 0.93 IL23R (0.53) NPBWR1
SCHEMBL30641909 0.93 IL23R (0.53) NPBWR1
SCHEMBL29485122 0.91 GHSR (0.54) ACEMC4RPRKACB
SCHEMBL31593302 0.91 NPBWR1 (0.54) PRMT1NPBWR1MC4RCCKARCCKBR
SCHEMBL31593284 0.91 NPBWR1 (0.58) PRMT1NPBWR1PRKACB
SCHEMBL20694561 0.90 PRMT1 (0.54) PRMT1NPBWR1ACEMC4RCCKAR
SCHEMBL31593250 0.89 GHSR (0.58) NPBWR1MC4RPRKACB
SCHEMBL31593260 0.89 NPBWR1 (0.57) PRMT1NPBWR1PRKACB
SCHEMBL19791188 0.89 PRMT1 (0.55) PRMT1NPBWR1CCKARCCKBROPRD1

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-117024515-A Polypeptide and application thereof in pharmacy 沈旭 2023-11-10 — — CN disclosed
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