SCHEMBL4739830

SCHEMBL4739830

CN(C)Cc1cnc(C(O)(c2ccccc2)C2CCCCCC2)o1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.41
POLB P06746 1/20 0.41
CHRM2 P08172 13/20 0.40
CHRM1 P11229 13/20 0.40
CHRM4 P08173 12/20 0.40
CHRM5 P08912 10/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP19A1 P11511 1/20 0.39
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
SCHEMBL1109790 1.00 CHRM3 (0.41) CHRM3POLBCHRM2CHRM1CHRM4
SCHEMBL1109782 1.00 CHRM3 (0.41) CHRM3POLBCHRM2CHRM1CHRM4
SCHEMBL3225415 1.00 CHRM3 (0.41) CHRM3POLBCHRM2CHRM1CHRM4
SCHEMBL1109780 1.00 CHRM3 (0.41) CHRM3POLBCHRM2CHRM1CHRM4
SCHEMBL1109822 0.99 ALDH1A1 (0.40) CHRM3POLBCHRM2CHRM1CHRM4
SCHEMBL3218882 0.99 ALDH1A1 (0.40) CHRM3POLBCHRM2CHRM1CHRM4
SCHEMBL13329443 0.99 ALDH1A1 (0.40) CHRM3POLBCHRM2CHRM1CHRM4
SCHEMBL3202857 0.96 ATM (0.39) CHRM3POLBCHRM2CHRM1CHRM4
SCHEMBL1109856 0.88 POLB (0.44) CHRM3POLBCHRM2CHRM1CHRM4
SCHEMBL1109796 0.87 CHRM3 (0.39) CHRM3CHRM2CHRM1CHRM4CHRM5

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