SCHEMBL4750083

SCHEMBL4750083

O=C(O)c1ncn([C@@H](c2ccccc2)C2(O)CCCCC2)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP19 O94966 4/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
CHRM4 P08173 1/20 0.36
PTGS2 P35354 1/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ACLY P53396 1/20 0.32
TP53 P04637 1/20 0.32
CNR1 P21554 1/20 0.32
USP7 Q93009 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL4749871 1.00 USP19 (0.36) USP19CHRM2CHRM1CHRM3CHRM4
SCHEMBL4749869 1.00 USP19 (0.36) USP19CHRM2CHRM1CHRM3CHRM4
SCHEMBL4286290 0.85 CHRM2 (0.42) CHRM2CHRM1CHRM3CHRM4SLC6A2
SCHEMBL4286295 0.85 CHRM2 (0.42) CHRM2CHRM1CHRM3CHRM4SLC6A2
SCHEMBL4288675 0.85 CHRM2 (0.42) CHRM2CHRM1CHRM3CHRM4SLC6A2
SCHEMBL4292792 0.76 CA1 (0.43) USP19SLC6A2SLC6A4SLC6A3CYP3A4
Hydrochloric Acid SCHEMBL4288900 0.76 CA1 (0.42) USP19SLC6A2SLC6A4SLC6A3CYP3A4
Hydrochloric Acid SCHEMBL4288897 0.76 CA1 (0.42) USP19SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL3492608 0.74 MEN1 (0.51) LMNAALDH1A1CYP3A4CYP2C9
SCHEMBL8235626 0.74 MEN1 (0.51) LMNAALDH1A1CYP3A4CYP2C9

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-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed