SCHEMBL175082

SCHEMBL175082

O=C(OC1CNCCc2ccccc21)c1cc(=O)[nH]c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GPR84 Q9NQS5 2/20 0.37
DRD1 P21728 9/20 0.37
DRD2 P14416 4/20 0.37
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
DRD5 P21918 3/20 0.35
MAPT P10636 2/20 0.35
ADCY6 O43306 1/20 0.35
ADCY3 O60266 1/20 0.35

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
Orotic Acid SCHEMBL174876 0.77 HTR2C (0.59) TAAR1HTR2AHTR2CHTR2BLMNA
Orotic Acid SCHEMBL162920 0.75 ALDH1A1 (0.45) TAAR1HTR2AHTR2CHTR2BMEN1
SCHEMBL16464059 0.74 HTR2C (0.49) TAAR1HTR2AHTR2CHTR2BDRD1
SCHEMBL12504944 0.74 HTR2A (0.49) TAAR1HTR2AHTR2CHTR2BMEN1
SCHEMBL12504901 0.74 HTR2C (0.49) TAAR1HTR2AHTR2CHTR2BDRD1
SCHEMBL12504962 0.73 HTR2C (0.48) TAAR1HTR2AHTR2CHTR2BDRD1
Orotic Acid SCHEMBL175081 0.72 ALDH1A1 (0.62) CYP1A2HTR2CHTR2BMEN1KMT2A
SCHEMBL5451237 0.72 HTR2C (0.47) TAAR1HTR2AHTR2CHTR2BDRD1
Lorcaserin SCHEMBL175008 0.67 HTR2A (0.63) HTR2AHTR2CHTR2BLMNAALDH1A1
Lorcaserin SCHEMBL170984 0.67 HTR2A (0.63) HTR2AHTR2CHTR2BLMNAALDH1A1

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-2012030953-A1 5-HT2C RECEPTOR AGONISTS IN THE TREATMENT OF DISORDERS AMELIORATED BY REDUCTION OF NOREPINEPHRINE LEVEL ARENA PHARMACEUTICALS, INC. (US) 2012-03-08 WO disclosed