SCHEMBL14101285

SCHEMBL14101285

CN(CCCOc1ccccc1)Cc1cnc(C(O)(c2ccccc2)C2CCCC2)s1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.40
KCNH2 Q12809 1/20 0.39
CHRM3 P20309 4/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM1 P11229 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SLC8A1 P32418 1/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 1/20 0.37
LTA4H P09960 1/20 0.36
ACHE P22303 1/20 0.36
KMT2A Q03164 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
SCHEMBL14101227 0.99 CHRM3 (0.40) FDPSKCNH2CHRM3CHRM2CHRM4
SCHEMBL14101291 0.85 ACHE (0.38) CHRM3CHRM2CHRM4CHRM1ALDH1A1
SCHEMBL14101035 0.83 ALDH1A1 (0.40) CHRM3CHRM2CHRM4CHRM1ALDH1A1
SCHEMBL4742907 0.82 CHRM3 (0.41) KCNH2CHRM3CHRM2CHRM4CHRM1
SCHEMBL4741476 0.81 KCNH2 (0.40) KCNH2CHRM3CHRM2CHRM1ALDH1A1
SCHEMBL4739872 0.80 KCNH2 (0.39) KCNH2CHRM3CHRM2CHRM4CHRM1
SCHEMBL4783504 0.80 LMNA (0.39) KCNH2CHRM3CHRM2CHRM1ALDH1A1
SCHEMBL1109850 0.80 CHRM3 (0.40) FDPSKCNH2CHRM3CHRM2CHRM4
SCHEMBL1109851 0.80 CHRM3 (0.40) FDPSKCNH2CHRM3CHRM2CHRM4
SCHEMBL1110599 0.80 CHRM3 (0.40) FDPSKCNH2CHRM3CHRM2CHRM4

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