SCHEMBL29138510

SCHEMBL29138510

COc1ccc2c(ccn2CC=O)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.57
MTNR1A P48039 3/20 0.52
MTNR1B P49286 3/20 0.52
POLB P06746 1/20 0.47
HTR6 P50406 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
PRMT5 O14744 5/20 0.46
HTR2A P28223 1/20 0.46
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44

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
SCHEMBL30669691 1.00 HTR2C (0.57) HTR2CMTNR1AMTNR1BPOLBHTR6
SCHEMBL29162319 0.85 HTR2C (0.59) HTR2CMTNR1AMTNR1BPOLBHTR6
SCHEMBL6100410 0.84 HTR2C (0.57) HTR2CMTNR1AMTNR1BPOLBHTR6
SCHEMBL15331053 0.80 HTR2C (0.55) HTR2CMAPTPRMT5HTR2AHDAC8
SCHEMBL7232114 0.80 HTR2C (0.64) HTR2CMTNR1AMTNR1BPOLBHTR6
SCHEMBL9623262 0.78 HTR2C (0.62) HTR2CMTNR1AMTNR1BPOLBHTR6
SCHEMBL27945690 0.78 KDM4E (0.49) MTNR1AMTNR1BPOLBKDM4EHDAC11
SCHEMBL2797929 0.77 KMT2A (0.48) HTR2CMTNR1AMTNR1BL3MBTL1MAPT
SCHEMBL13207658 0.77 PRKCI (0.49) HTR2CHTR6KDM4EMAPTHTR2A
SCHEMBL18857024 0.77 MTNR1A (0.62) HTR2CMTNR1AMTNR1BPOLBHTR6

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