SCHEMBL29138539

SCHEMBL29138539

COc1ncccc1CCC=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 4/20 0.51
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
KDM1A O60341 5/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 1/20 0.42
APLNR P35414 1/20 0.39
BTK Q06187 1/20 0.39
NFE2L2 Q16236 2/20 0.38
HTR2B P41595 1/20 0.37
C3AR1 Q16581 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5779788 0.84 SLC13A5 (0.46) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL8812885 0.83 SLC13A5 (0.48) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL28268228 0.82 SLC13A5 (0.50) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL12093550 0.80 SLC13A5 (0.51) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL91503 0.80 SLC13A5 (0.50) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL5780541 0.79 SLC13A5 (0.54) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL18892461 0.79 SLC13A5 (0.50) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL29956908 0.79 P2RX7 (0.39) MEN1KMT2A
SCHEMBL3055288 0.79 TAAR1 (0.52) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL28199240 0.79 SLC13A5 (0.50) SLC13A5HTR2AHTR2CKDM1AMAOA

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-117069720-A 5-HT 2A Receptor agonist, preparation method and application thereof 上海翊石医药科技有限公司 2023-11-17 CN disclosed