SCHEMBL174199

SCHEMBL174199

O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)C1CNCCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DRD1 P21728 8/20 0.38
DRD2 P14416 4/20 0.38
PRCP P42785 2/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
DRD5 P21918 2/20 0.36
MAPT P10636 2/20 0.36
ADCY6 O43306 1/20 0.36
ADCY3 O60266 1/20 0.36
ADCY9 O60503 1/20 0.36
ADCY5 O95622 1/20 0.36
ADCY8 P40145 1/20 0.36
ADCY7 P51828 1/20 0.36
ADCY2 Q08462 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
SCHEMBL4751069 0.79 HTR2C (0.56) TAAR1HTR2AHTR2CHTR2BTSHR
SCHEMBL6601826 0.75 HTR2C (0.54) TAAR1HTR2AHTR2CHTR2BTSHR
Glucuronic Acid SCHEMBL161811 0.74 TAAR1 (0.38) TAAR1HTR2AHTR2CHTR2BTSHR
Glucuronic Acid SCHEMBL164771 0.74 TAAR1 (0.38) TAAR1HTR2AHTR2CHTR2BTSHR
SCHEMBL2369359 0.71 HTR2C (0.50) TAAR1HTR2AHTR2CHTR2BTSHR
Cadaverine Tartrate SCHEMBL1668270 0.69 PRCP (0.73) TSHRNPSR1DRD1DRD2PRCP
Cadaverine Tartrate SCHEMBL1477981 0.69 PRCP (0.73) TSHRNPSR1DRD1DRD2PRCP
SCHEMBL4662681 0.68 HTR2C (0.50) TAAR1HTR2AHTR2CHTR2BTSHR
Cadaverine Tartrate SCHEMBL3717811 0.68 PNMT (0.66) HTR2CPRCP
SCHEMBL7698264 0.67 HTR2A (0.51) TAAR1HTR2AHTR2CHTR2BTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611449-A1 ADMINISTRATION OF LORCASERIN TO INDIVIDUALS WITH RENAL IMPAIRMENT Arena Pharmaceuticals, Inc. (US) 2013-07-10 EP disclosed
WO-2012030939-A1 ADMINISTRATION OF LORCASERIN TO INDIVIDUALS WITH RENAL IMPAIRMENT ARENA PHARMACEUTICALS, INC. (US) 2012-03-08 WO disclosed