SCHEMBL4742907

SCHEMBL4742907

CN(C)Cc1cnc(C(O)(c2ccccc2)C2CCCCC2)s1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CHRM2 P08172 13/20 0.38
CHRM1 P11229 13/20 0.38
CHRM4 P08173 12/20 0.38
CHRM5 P08912 10/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL14101035 0.99 ALDH1A1 (0.40) CHRM3POLBALDH1A1CHRM2CHRM1
SCHEMBL3227969 0.84 CHRM3 (0.41) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL14101227 0.83 CHRM3 (0.40) CHRM3POLBALDH1A1CHRM2CHRM1
SCHEMBL14101285 0.82 FDPS (0.40) CHRM3POLBALDH1A1CHRM2CHRM1
SCHEMBL27795411 0.82 CHRM3 (0.40) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL3217762 0.81 CHRM3 (0.42) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL14291725 0.81 POLB (0.41) CHRM3POLBALDH1A1CHRM2CHRM1
SCHEMBL4727213 0.81 CHRM3 (0.46) CHRM3POLBALDH1A1CHRM2CHRM1
SCHEMBL14101291 0.81 ACHE (0.38) CHRM3POLBALDH1A1CHRM2CHRM1
SCHEMBL14101197 0.80 ATM (0.43) CHRM3ALDH1A1CHRM2CHRM1CHRM4

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
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed