SCHEMBL25790949

SCHEMBL25790949

C[C@H](Cn1ccc2c(OC(=O)CCCC(=O)Oc3cccc4c3ccn4C[C@H](C)N(C)C)cccc21)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.47
HTR2A P28223 2/20 0.39
PRMT5 O14744 1/20 0.38
MCL1 Q07820 5/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
PPARG P37231 4/20 0.35
PPARA Q07869 4/20 0.35
PPARD Q03181 2/20 0.33
POLM Q9NP87 1/20 0.33
POLK Q9UBT6 1/20 0.33
POLL Q9UGP5 1/20 0.33
POLH Q9Y253 1/20 0.33
BAD Q92934 1/20 0.33
BCL2 P10415 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL25790909 0.82 HTR2C (0.56) HTR2CHTR2AMCL1MEN1KMT2A
SCHEMBL23927922 0.81 HTR2C (0.70) HTR2CHTR2APRMT5KDM4E
SCHEMBL23927920 0.81 HTR2C (0.70) HTR2CHTR2APRMT5KDM4E
SCHEMBL25790950 0.75 HTR2C (0.47) HTR2CHTR2APRMT5MCL1
SCHEMBL15323414 0.68 BCHE (0.43)
SCHEMBL23927925 0.67 HTR2C (0.47) HTR2CHTR2APRMT5MEN1KMT2A
SCHEMBL23927923 0.67 HTR2C (0.47) HTR2CHTR2APRMT5MEN1KMT2A
SCHEMBL23956112 0.67 HTR2C (0.47) HTR2CHTR2APRMT5KDM4E
SCHEMBL25520783 0.66 HTR2C (0.44) HTR2CHTR2AKMT2A
SCHEMBL23956087 0.66 HTR2C (0.46) HTR2CHTR2APRMT5

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
WO-2023122320-A1 POLYPODAL SEROTONERGIC COMPOUNDS AND PRODRUGS OF SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS KULEON LLC (US) 2023-06-29 WO disclosed