SCHEMBL5790167

SCHEMBL5790167

NC[C@@H](c1ccccc1)c1cccc(C2OCCO2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.50
TAAR1 Q96RJ0 3/20 0.50
MEN1 O00255 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
HRH1 P35367 2/20 0.35
HTT P42858 1/20 0.34
AKT2 P31751 1/20 0.34
AKT1 P31749 1/20 0.34
CHRNA7 P36544 1/20 0.33
USP19 O94966 1/20 0.33

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
SCHEMBL2534136 0.78 MEN1 (0.38) MEN1CYP2C19KMT2AHTTUSP19
SCHEMBL2535973 0.78 EPHX1 (0.39) MEN1CYP2C19KMT2AHTTUSP19
SCHEMBL16148375 0.75 MEN1 (0.33) MEN1CYP2C19KMT2AHTTUSP19
SCHEMBL2936663 0.75 MEN1 (0.33) MEN1CYP2C19KMT2AHTT
SCHEMBL27796397 0.75 ALDH1A1 (0.38) MEN1CYP2C19KMT2AHTTUSP19
SCHEMBL5791987 0.75 CTSD (0.39) MEN1KMT2AUSP19
SCHEMBL8322242 0.75 CHRNB2 (0.37) MEN1CYP2C19KMT2ACHRNB2CHRNA4
SCHEMBL2930360 0.74 HTT (0.33) MEN1CYP2C19KMT2AHTTUSP19
SCHEMBL2934366 0.73 SRC (0.46) MEN1CYP2C19KMT2AHTTUSP19
SCHEMBL20825893 0.72 ALDH1A1 (0.39) HTTUSP19

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-1636224-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE Prosidion Limited (GB) 2006-03-22 EP disclosed
WO-2004104001-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LIMITED (GB) 2004-12-02 WO disclosed