SCHEMBL14101227

SCHEMBL14101227

CN(CCCOc1ccccc1)Cc1cnc(C(O)(c2ccccc2)C2CCCCC2)s1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.40
CHRM2 P08172 3/20 0.40
CHRM4 P08173 3/20 0.40
CHRM1 P11229 3/20 0.40
FDPS P14324 4/20 0.39
POLB P06746 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SLC8A1 P32418 1/20 0.38
MEN1 O00255 2/20 0.37
LTA4H P09960 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
SCHEMBL14101285 0.99 FDPS (0.40) CHRM3CHRM2CHRM4CHRM1FDPS
SCHEMBL14101291 0.84 ACHE (0.38) CHRM3CHRM2CHRM4CHRM1POLB
SCHEMBL4742907 0.83 CHRM3 (0.41) CHRM3CHRM2CHRM4CHRM1POLB
SCHEMBL14101035 0.82 ALDH1A1 (0.40) CHRM3CHRM2CHRM4CHRM1POLB
SCHEMBL4739872 0.82 KCNH2 (0.39) CHRM3CHRM2CHRM4CHRM1KCNH2
SCHEMBL1109850 0.81 CHRM3 (0.40) CHRM3CHRM2CHRM4CHRM1FDPS
SCHEMBL1109851 0.81 CHRM3 (0.40) CHRM3CHRM2CHRM4CHRM1FDPS
SCHEMBL1110599 0.81 CHRM3 (0.40) CHRM3CHRM2CHRM4CHRM1FDPS
SCHEMBL4741476 0.80 KCNH2 (0.40) CHRM3CHRM2CHRM1KCNH2ALDH1A1
SCHEMBL4783504 0.79 LMNA (0.39) CHRM3CHRM2CHRM1KCNH2ALDH1A1

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