SCHEMBL28786542

SCHEMBL28786542

CSc1nccc(C2(C(=O)OCC(C)(C)C)CCN(C(=O)O)CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.34
▸ OPRM1 P35372 6/20 0.32
▸ OPRD1 P41143 5/20 0.32
▸ OPRK1 P41145 5/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ SLC22A1 O15245 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CTPS1 P17812 1/20 0.32
▸ MEN1 O00255 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ FSHR P23945 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ACACB O00763 2/20 0.30
▸ POLB P06746 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL23121052 0.80 CTPS1 (0.43) OPRM1OPRD1OPRK1KMT2ASLC22A1
SCHEMBL28944831 0.76 ATM (0.42) OPRD1OPRK1CTPS1TSHRPOLB
SCHEMBL23235748 0.75 OPRD1 (0.42) OPRM1OPRD1OPRK1KMT2ASLC22A1
SCHEMBL22749260 0.74 KMT2A (0.44) OPRM1OPRD1OPRK1KMT2ASLC22A1
SCHEMBL22762433 0.73 OPRM1 (0.39) OPRM1OPRD1OPRK1KMT2ASLC22A1
SCHEMBL22749259 0.72 OPRM1 (0.52) FFAR4OPRM1OPRD1OPRK1KMT2A
SCHEMBL22758510 0.70 FFAR4 (0.36) FFAR4KMT2AMEN1RAB9APIK3CA
SCHEMBL29108724 0.69 PIK3CA (0.38) FFAR4KMT2AMEN1ALDH1A1PIK3CA
SCHEMBL22758512 0.68 FFAR4 (0.35) FFAR4PIK3CAACACB
SCHEMBL21392151 0.68 FFAR4 (0.37) FFAR4CTPS1ALDH1A1PIK3CAKDM4E

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-113831337-A GLP-1 receptor agonist, and pharmaceutical composition and use thereof 广州市恒诺康医药科技有限公司 2021-12-24 — — CN disclosed
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