SCHEMBL29923686

SCHEMBL29923686

Cc1cc(C2CCC(CC(=O)O)CC2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.48
DGAT1 O75907 17/20 0.47
IDO1 P14902 1/20 0.47
SOAT1 P35610 3/20 0.46
FAAH O00519 1/20 0.46
CHRM2 P08172 1/20 0.46
DGAT2 Q96PD7 1/20 0.46
PDE10A Q9Y233 1/20 0.46
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
SOAT2 O75908 1/20 0.43

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
SCHEMBL22729998 1.00 USP30 (0.48) USP30DGAT1IDO1SOAT1FAAH
SCHEMBL22729999 1.00 USP30 (0.48) USP30DGAT1IDO1SOAT1FAAH
Bicarbonate SCHEMBL9280862 0.86 IDO1 (0.54) USP30IDO1
SCHEMBL21385234 0.84 DGAT1 (0.46) USP30DGAT1IDO1
SCHEMBL30209427 0.84 DGAT1 (0.46) USP30DGAT1IDO1
SCHEMBL21583831 0.83 USP30 (0.44) USP30DGAT1IDO1SOAT1FAAH
SCHEMBL22755410 0.83 LNPEP (0.46) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL9277352 0.81 IDO1 (0.50) USP30IDO1
SCHEMBL23660437 0.77 IDO1 (0.48) USP30IDO1
SCHEMBL22730013 0.77 IDO1 (0.48) USP30IDO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110092750-B Pentafluoro sulfanyl substituted amide compound, preparation method and application thereof in medicine 北京诺诚健华医药科技有限公司 2023-07-21 CN disclosed
CN-112334458-B 3-indazolinone compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2022-11-08 CN disclosed