SCHEMBL30685220

SCHEMBL30685220

C[C@@H](O)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.53
▸ OPRD1 P41143 3/20 0.51
▸ OPRM1 P35372 2/20 0.51
▸ NPBWR1 P48145 1/20 0.50
▸ MC4R P32245 2/20 0.49
▸ IL23R Q5VWK5 6/20 0.49
▸ KISS1R Q969F8 2/20 0.48
▸ ACE P12821 1/20 0.48
▸ CCKAR P32238 1/20 0.47
▸ CCKBR P32239 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
SCHEMBL30444033 0.91 ACE (0.54) MC4RKISS1RACE
SCHEMBL30645551 0.88 PRMT1 (0.57) PRMT1IL23RKISS1RCCKARCCKBR
SCHEMBL29772708 0.88 PRMT1 (0.54) PRMT1OPRD1OPRM1NPBWR1ACE
SCHEMBL31659444 0.88 CCKAR (0.54) PRMT1OPRD1OPRM1NPBWR1MC4R
SCHEMBL30725660 0.86 IL23R (0.51) PRMT1NPBWR1IL23RACE
SCHEMBL30866237 0.86 NPBWR1 (0.55) PRMT1OPRD1OPRM1NPBWR1IL23R
SCHEMBL30645560 0.86 PRMT1 (0.60) PRMT1OPRD1IL23RKISS1RCCKAR
SCHEMBL26421593 0.86 PRMT1 (0.55) PRMT1OPRD1NPBWR1MC4RIL23R
SCHEMBL20694561 0.86 PRMT1 (0.54) PRMT1OPRD1NPBWR1MC4RKISS1R
SCHEMBL31593302 0.85 NPBWR1 (0.54) PRMT1OPRD1NPBWR1MC4RIL23R

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-117089572-A Low off-target base editor and construction thereof 中国科学院天津工业生物技术研究所 2023-11-21 — — CN disclosed
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