SCHEMBL4778829

SCHEMBL4778829

COC(CCCCCCCN(C)Cc1cnc(C(O)(c2ccccc2)C2CCCC2)o1)OC

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.34
CHRM2 P08172 10/20 0.34
CHRM4 P08173 9/20 0.34
CHRM1 P11229 9/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP19A1 P11511 1/20 0.31
CHRM5 P08912 5/20 0.31

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
SCHEMBL12855714 0.87 CHRM3 (0.41) CHRM3CHRM2CHRM4CHRM1ALDH1A1
SCHEMBL14290902 0.87 ALDH1A1 (0.37) CHRM3CHRM2CHRM4CHRM1ALDH1A1
SCHEMBL1109808 0.86 CHRM3 (0.38) CHRM3CHRM2CHRM4CHRM1ALDH1A1
SCHEMBL13093510 0.85 CHRM3 (0.39) CHRM3CHRM2CHRM4CHRM1ALDH1A1
SCHEMBL12855710 0.84 CHRM3 (0.36) CHRM3CHRM2CHRM4CHRM1ALDH1A1
SCHEMBL4726344 0.84 ALDH1A1 (0.35) CHRM3CHRM2CHRM4CHRM1ALDH1A1
SCHEMBL4725876 0.84 ALDH1A1 (0.35) CHRM3CHRM2CHRM4CHRM1ALDH1A1
SCHEMBL1109851 0.83 CHRM3 (0.40) CHRM3CHRM2CHRM4CHRM1ALDH1A1
SCHEMBL1109850 0.83 CHRM3 (0.40) CHRM3CHRM2CHRM4CHRM1ALDH1A1
SCHEMBL1110599 0.83 CHRM3 (0.40) CHRM3CHRM2CHRM4CHRM1ALDH1A1

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-2008017827-A2 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LIMITED (GB) 2008-02-14 WO disclosed
WO-2008017827-A2 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LIMITED (GB) 2008-02-14 WO disclosed