SCHEMBL30745401

SCHEMBL30745401

COC(=O)c1cc(C2CCCN2C(=O)OC(C)(C)C)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.48
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
UCHL1 P09936 1/20 0.43
USP30 Q70CQ3 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
EED O75530 1/20 0.40
RBBP4 Q09028 1/20 0.40
SUZ12 Q15022 1/20 0.40
EZH2 Q15910 1/20 0.40
AEBP2 Q6ZN18 1/20 0.40

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
SCHEMBL5529036 0.91 RIPK1 (0.48) RIPK1NR1H2NR1H3TSHRALDH1A1
SCHEMBL4967238 0.91 RIPK1 (0.48) RIPK1NR1H2NR1H3TSHRALDH1A1
SCHEMBL4967606 0.91 RIPK1 (0.48) RIPK1NR1H2NR1H3TSHRALDH1A1
SCHEMBL28961486 0.85 NR1H2 (0.48) RIPK1NR1H2NR1H3ALDH1A1LMNA
SCHEMBL16881442 0.83 RIPK1 (0.44) RIPK1NR1H2NR1H3TSHRALDH1A1
SCHEMBL30315980 0.83 RIPK1 (0.48) RIPK1NR1H2NR1H3TSHRALDH1A1
SCHEMBL27284777 0.83 NR1H2 (0.46) RIPK1NR1H2NR1H3TSHRALDH1A1
SCHEMBL4968809 0.82 RIPK1 (0.47) RIPK1NR1H2NR1H3TSHRALDH1A1
SCHEMBL4968813 0.82 RIPK1 (0.47) RIPK1NR1H2NR1H3TSHRALDH1A1
SCHEMBL30930610 0.82 NR1H2 (0.45) RIPK1NR1H2NR1H3TSHRALDH1A1

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-117545748-A Benzimidazolyl GLP-1GPCR receptor agonists, pharmaceutical compositions comprising the same, and methods of use thereof 卡莫特医疗有限公司 2024-02-09 CN disclosed