SCHEMBL25790909

SCHEMBL25790909

CN(C)CCn1ccc2c(OC(=O)CCCC(=O)Oc3cccc4c3ccn4CCN(C)C)cccc21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.56
HTR2A P28223 3/20 0.45
HTR6 P50406 7/20 0.43
MCL1 Q07820 4/20 0.41
CNR2 P34972 1/20 0.40
BAD Q92934 1/20 0.38
BCL2 P10415 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR1D P28221 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
SCHEMBL25790949 0.82 HTR2C (0.47) HTR2CHTR2AMCL1BADBCL2
SCHEMBL23927902 0.79 HTR2C (0.64) HTR2CHTR2AHTR6KDM4EHTR1D
SCHEMBL30637141 0.78 HTR2C (0.48) HTR2C
SCHEMBL31703512 0.78 HTR2C (0.59) HTR2CHTR2AHTR6MCL1CNR2
SCHEMBL25438171 0.78 HTR2C (0.59) HTR2CHTR2AHTR6MCL1CNR2
Fumaric Acid SCHEMBL23927840 0.77 HTR2C (0.55) HTR2CHTR2AHTR6MCL1KDM4E
Fumaric Acid SCHEMBL29435352 0.77 HTR2C (0.55) HTR2CHTR2AHTR6MCL1KDM4E
SCHEMBL24994243 0.75 KDM4E (0.44) HTR2CHTR2ACNR2KDM4EMEN1
SCHEMBL15999003 0.74 HTR2C (0.65) HTR2CHTR2AHTR6MCL1CNR2
SCHEMBL15999000 0.73 HTR2C (0.60) HTR2CHTR2AHTR6CNR2

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