SCHEMBL25790950

SCHEMBL25790950

C[C@H](Cn1ccc2cc(OC(=O)CCCC(=O)Oc3ccc4c(ccn4C[C@H](C)N(C)C)c3)ccc21)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.47
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
ITGB3 P05106 2/20 0.41
ITGAV P06756 2/20 0.41
HTR2A P28223 4/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC11 Q96DB2 1/20 0.38
PRMT5 O14744 2/20 0.38
MCL1 Q07820 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
EGFR P00533 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
SCHEMBL29780341 0.81 HTR2C (0.69) HTR2CHTR2AMTNR1AMTNR1BHDAC8
SCHEMBL23956071 0.81 HTR2C (0.69) HTR2CHTR2AMTNR1AMTNR1BHDAC8
SCHEMBL23927896 0.81 HTR2C (0.69) HTR2CHTR2AMTNR1AMTNR1BHDAC8
SCHEMBL23927895 0.81 HTR2C (0.69) HTR2CHTR2AMTNR1AMTNR1BHDAC8
Fumaric Acid SCHEMBL25201003 0.79 HTR2C (0.56) HTR2CITGB3ITGAVHTR2AMTNR1A
Fumaric Acid SCHEMBL30729586 0.79 HTR2C (0.56) HTR2CITGB3ITGAVHTR2AMTNR1A
Fumaric Acid SCHEMBL27125871 0.79 HTR2C (0.56) HTR2CITGB3ITGAVHTR2AMTNR1A
SCHEMBL25236285 0.77 HTR2C (0.59) HTR2CITGB3ITGAVHTR2AMTNR1A
SCHEMBL23956079 0.76 HTR2C (0.51) HTR2CMAOAMAOBHTR2APRMT5
SCHEMBL23956076 0.76 HTR2C (0.51) HTR2CMAOAMAOBHTR2APRMT5

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