SCHEMBL4778434

SCHEMBL4778434

Cn1ncc(Br)c1-c1cc(N)cc2cc(CN3CCCC3)oc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.37
HTR2C P28335 6/20 0.37
DRD2 P14416 1/20 0.32
MAOA P21397 1/20 0.32
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
AHR P35869 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4778898 0.83 ALDH1A1 (0.37) HTR2AHTR2CRAB9AKDM4EALDH1A1
SCHEMBL14259766 0.72 HTR2A (0.51) HTR2AHTR2C
SCHEMBL4779455 0.71 HTR2A (0.37) HTR2AHTR2C
SCHEMBL4881352 0.71 HTR2A (0.39) HTR2AHTR2CMEN1KMT2A
SCHEMBL1165844 0.70 HTR2A (0.63) HTR2AHTR2CKDM4ESMN1; SMN2MEN1
SCHEMBL1166100 0.69 HTR2A (0.62) HTR2AHTR2CKDM4ESMN1; SMN2MEN1
SCHEMBL1165825 0.69 HTR2A (0.62) HTR2AHTR2CKDM4ESMN1; SMN2MEN1
SCHEMBL5245872 0.66 HTR2A (0.54) HTR2AHTR2C
SCHEMBL1065555 0.65 HRH3 (0.41) DRD2MAOARAB9AMEN1POLB
SCHEMBL1166025 0.65 HTR2A (0.60) HTR2AHTR2CALDH1A1POLBMAPT

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-2008027483-A1 BENZOFURAN DERIVATIVES AS MODULATORS OF THE 5-HT2A RECEPTOR ARENA PHARMACEUTICALS, INC. (US) 2008-03-06 WO disclosed