SCHEMBL7737728

SCHEMBL7737728

O=C1COc2c(O)cccc2N1CCOCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.45
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
CHRM1 P11229 4/20 0.40
DRD2 P14416 3/20 0.40
HTR2A P28223 3/20 0.40
MCHR1 Q99705 3/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
ADRA1B P35368 1/20 0.40
KCNH2 Q12809 1/20 0.40
LTA4H P09960 1/20 0.40
PKM P14618 1/20 0.39
SLC5A2 P31639 1/20 0.39
TEAD3 Q99594 1/20 0.39

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
SCHEMBL7737826 0.83 PTGER3 (0.41) HTR6KMT2AMEN1GAACHRM1
SCHEMBL7737820 0.83 PTGER3 (0.41) HTR6KMT2AMEN1GAACHRM1
SCHEMBL7737673 0.81 SLC5A2 (0.41) HTR6KMT2AMEN1GAACHRM1
SCHEMBL27499139 0.80 CHRM1 (0.39) HTR6KMT2AMEN1GAACHRM1
SCHEMBL7729988 0.79 HTR6 (0.41) HTR6KMT2AMEN1GAACHRM1
SCHEMBL7737292 0.76 SLC5A2 (0.39) HTR6KMT2AMEN1GAACHRM1
SCHEMBL7737187 0.73 HTR6 (0.41) HTR6CHRM1DRD2HTR2AMCHR1
SCHEMBL19682942 0.70 PKM (0.44) HTR6GAACHRM1CHRM2LTA4H
SCHEMBL7730055 0.69 ALOX12 (0.58) KMT2AMEN1GAARECQLALDH1A1
SCHEMBL14139251 0.68 KMT2A (0.51) KMT2AMEN1GAACHRM1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1202084-C Fused benzene heterocycle derivatives and utilization thereof TORAY INDUSTRIES (JP) 2005-05-18 CN disclosed
US-6407096-B1 1,4-BENZOTHIAZINE AND 1,4-BENZOXAZINE DERIVATIVES; HYPOTENSIVE, ANTIISCHEMIC, ANTIALLERGEN, ANTIASTHMATIC AND ANTICOAGULANT AGENTS; CARDIOVASCULAR DISORDERS TORAY INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
CN-1287553-A Fused benzene heterocycle derivatives and utilization thereof TORAY INDUSTRIES (JP) 2001-03-14 CN disclosed
EP-1028113-A1 FUSED BENZENE HETEROCYCLE DERIVATIVES AND UTILIZATION THEREOF TORAY INDUSTRIES, INC. (JP) 2000-08-16 EP disclosed