SCHEMBL4743356

SCHEMBL4743356

Cc1ccc(OCC[N+](C)(C)Cc2cnc(C(O)(c3ccccc3)C3CCCCC3)o2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.38
CYP19A1 P11511 1/20 0.38
KCNH2 Q12809 3/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
SLC6A3 Q01959 1/20 0.36
LMNA P02545 1/20 0.36
HRH1 P35367 3/20 0.36
MEN1 O00255 6/20 0.36
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 2/20 0.34
NPY2R P49146 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL4743355 1.00 CHRNA7 (0.38) CHRNA7CYP19A1KCNH2CHRNB4CHRNA3
SCHEMBL4744082 0.99 KCNH2 (0.38) CHRNA7CYP19A1KCNH2CHRNB4CHRNA3
SCHEMBL1109792 0.95 KCNH2 (0.39) CHRNA7CYP19A1KCNH2CHRNB4CHRNA3
SCHEMBL1109795 0.95 KCNH2 (0.39) CHRNA7CYP19A1KCNH2CHRNB4CHRNA3
Bromide SCHEMBL2876849 0.95 KCNH2 (0.38) CHRNA7CYP19A1KCNH2CHRM2CHRM1
Bromide SCHEMBL2876843 0.95 KCNH2 (0.38) CHRNA7CYP19A1KCNH2CHRM2CHRM1
SCHEMBL1109774 0.94 CHRNA7 (0.39) CHRNA7CYP19A1KCNH2CHRNB4CHRNA3
SCHEMBL1109773 0.94 CHRNA7 (0.39) CHRNA7CYP19A1KCNH2CHRNB4CHRNA3
SCHEMBL14101216 0.93 LMNA (0.39) CHRNA7CYP19A1KCNH2CHRM2CHRM1
SCHEMBL4742440 0.92 CYP19A1 (0.39) CHRNA7CYP19A1KCNH2CHRNB4CHRNA3

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