SCHEMBL29237332

SCHEMBL29237332

COC(=O)CCc1cccc(C(=O)c2cnc(-c3cccc(Oc4ccc5[nH]ccc5c4CNC(C)=O)c3)[nH]2)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 5/20 0.38
▸ MTNR1B P49286 4/20 0.38
▸ DGAT2 Q96PD7 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ ROCK2 O75116 2/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ DNMT3B Q9UBC3 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ TNIK Q9UKE5 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ASH1L Q9NR48 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL30216992 1.00 MTNR1A (0.38) MTNR1AMTNR1BDGAT2AURKAAURKB
SCHEMBL30967803 0.92 DGAT2 (0.34) MTNR1AMTNR1BDGAT2ROCK2CDK8
SCHEMBL30217176 0.92 DGAT2 (0.34) MTNR1AMTNR1BDGAT2ROCK2CDK8
SCHEMBL29237406 0.91 DGAT2 (0.34) MTNR1AMTNR1BDGAT2ROCK2CDK8
SCHEMBL30217287 0.91 DGAT2 (0.34) MTNR1AMTNR1BDGAT2ROCK2CDK8
SCHEMBL29336791 0.88 DGAT2 (0.40) MTNR1AMTNR1BDGAT2AURKAAURKB
SCHEMBL30967771 0.87 DGAT2 (0.33) DGAT2ROCK2CDK8DNMT3BROCK1
SCHEMBL29237475 0.87 DGAT2 (0.33) DGAT2ROCK2CDK8DNMT3BROCK1
SCHEMBL30217168 0.87 DGAT2 (0.33) DGAT2ROCK2CDK8DNMT3BROCK1
SCHEMBL30217164 0.85 DGAT2 (0.32) DGAT2CDK8DNMT3B

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-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 — — CN disclosed
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