SCHEMBL4036853

SCHEMBL4036853

COc1ccc(NC(=O)COc2ccc3c(c2)OCO3)cc1-c1c(C)cnn1C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
NPC1 O15118 5/20 0.55
RAB9A P51151 3/20 0.55
POLB P06746 1/20 0.53
ALDH1A1 P00352 4/20 0.52
LMNA P02545 4/20 0.52
KMT2A Q03164 2/20 0.52
TSHR P16473 4/20 0.50
KDM4E B2RXH2 2/20 0.50
USP2 O75604 1/20 0.50
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL4046566 0.87 HTR2A (0.56) MAPTALDH1A1LMNAKMT2AHTR2A
SCHEMBL3954252 0.79 HTR2A (0.62) MAPTALDH1A1LMNAKMT2AKDM4E
SCHEMBL4037589 0.78 HTR2A (0.67) MAPTLMNATSHRMAPK1HTR2A
SCHEMBL4035818 0.77 HTR2A (0.61) MAPTKMT2AHTR2AHTR2C
SCHEMBL3947894 0.77 HTR2A (0.61) HTR2AHTR2C
SCHEMBL3947512 0.77 FFAR1 (0.55) NPC1KMT2AMEN1TP53SMN1; SMN2
SCHEMBL108072 0.76 MAPT (0.81) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL3948203 0.74 HTR2A (0.60) MAPTKMT2AKDM4EMEN1MAPK1
SCHEMBL4042460 0.74 HTR2A (0.65) HTR2AHTR2C
SCHEMBL3949290 0.73 HTR2A (0.67) HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051978-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-04-29 EP claimed
WO-2007136875-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO claimed
EP-2051978-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-04-29 EP disclosed
WO-2007136875-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO disclosed
WO-2007136875-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO disclosed