SCHEMBL25837175

SCHEMBL25837175

O=C(c1ccc(N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.89
HPGD P15428 4/20 0.89
SLC18A2 Q05940 4/20 0.89
CYP3A4 P08684 3/20 0.89
LMNA P02545 3/20 0.89
SLC6A3 Q01959 3/20 0.89
ALDH1A1 P00352 2/20 0.89
CYP2C19 P33261 2/20 0.89
CYP1A2 P05177 2/20 0.89
HTR1A P08908 2/20 0.89
CYP2C9 P11712 2/20 0.89
DRD2 P14416 2/20 0.89
HTR2C P28335 2/20 0.89
KCNH2 Q12809 2/20 0.89
MAPT P10636 2/20 0.89
MEN1 O00255 2/20 0.89
KMT2A Q03164 2/20 0.89
ADRA2B P18089 1/20 0.89
ADRA2C P18825 1/20 0.89
DRD1 P21728 1/20 0.89

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
Ketanserin SCHEMBL34294 0.94 HTR2A (1.00) HTR2AHPGDSLC18A2CYP3A4LMNA
Ketanserin SCHEMBL29361038 0.94 HTR2A (1.00) HTR2AHPGDSLC18A2CYP3A4LMNA
Ketanserin SCHEMBL4862503 0.94 HTR2A (1.00) HTR2AHPGDSLC18A2CYP3A4LMNA
Ketanserin SCHEMBL2030457 0.93 HTR2A (0.98) HTR2AHPGDSLC18A2CYP3A4LMNA
Ketanserin SCHEMBL30028921 0.93 HTR2A (0.98) HTR2AHPGDSLC18A2CYP3A4LMNA
Ketanserin SCHEMBL1532014 0.93 HTR2A (0.98) HTR2AHPGDSLC18A2CYP3A4LMNA
Ketanserin SCHEMBL5614705 0.92 HTR2A (0.94) HTR2AHPGDSLC18A2CYP3A4LMNA
Hydrochloric Acid SCHEMBL9870098 0.90 HTR2A (0.91) HTR2AHPGDSLC18A2CYP3A4LMNA
Butanserin SCHEMBL875652 0.89 HTR2A (0.89) HTR2AHPGDSLC18A2CYP3A4LMNA
Ketanserin SCHEMBL362930 0.88 CYP2D6 (1.00) HTR2AHPGDSLC18A2CYP3A4LMNA

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-2023133524-A1 A PROCESS FOR SYNTHESIZING KETANSERIN TERRAN BIOSCIENCES, INC. (US) 2023-07-13 WO disclosed