SCHEMBL13356302

SCHEMBL13356302

OC(c1ccccc1)C1CCN(c2ccc(I)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.50
HTR2A P28223 5/20 0.45
HTR2C P28335 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
DGAT1 O75907 1/20 0.41
RPS6KB1 P23443 4/20 0.39
HTR1A P08908 1/20 0.39
HRH1 P35367 1/20 0.39
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
AKT2 P31751 1/20 0.38
IDO1 P14902 1/20 0.36
TDO2 P48775 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
SCHEMBL2390103 0.84 STAT3 (0.47) STAT3HTR2AHTR2CKDM4ECYP1A2
SCHEMBL3832693 0.75 MAPT (0.43) KDM4ERPS6KB1
SCHEMBL24735180 0.74 MAPT (0.38) KDM4E
SCHEMBL10621170 0.74 HTR2A (0.56) STAT3HTR2AHTR2CKDM4ECYP1A2
SCHEMBL27404764 0.73 LMNA (0.55) STAT3KDM4EDGAT1
SCHEMBL30890323 0.73 LMNA (0.55) STAT3KDM4EDGAT1
SCHEMBL13356261 0.72 KMT2A (0.57) KDM4ETSHR
SCHEMBL20231575 0.72 MAPT (0.57) KDM4ETSHR
SCHEMBL30612346 0.72 PDE10A (0.48) KDM4E
SCHEMBL24735175 0.72 PDE10A (0.48) KDM4E

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-2010059602-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 WO disclosed