SCHEMBL4353573

SCHEMBL4353573

CC(C)(C)N1CCC(C2OCc3cc(-c4ccc(C(=O)N5CCOCC5)nc4)ccc3O2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
NR3C1 P04150 3/20 0.39
PGR P06401 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
ALOX5AP P20292 1/20 0.36
MTOR P42345 1/20 0.36
GRM5 P41594 1/20 0.35
KCNH2 Q12809 2/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
F2RL3 Q96RI0 1/20 0.35
PIK3CA P42336 1/20 0.35
AOC3 Q16853 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 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
SCHEMBL4540460 0.89 SMN1; SMN2 (0.43) SMN1; SMN2NR3C1MTORGRM5NPC1
SCHEMBL4521195 0.89 GPR119 (0.42) SMN1; SMN2NR3C1
SCHEMBL4538191 0.82 TNKS (0.41) SMN1; SMN2MTORKCNH2NPC1RAB9A
SCHEMBL4355344 0.81 GPR119 (0.43) TP53
SCHEMBL4362448 0.81 TNKS (0.44) SMN1; SMN2MTORKCNH2NPC1RAB9A
SCHEMBL4355462 0.80 POLB (0.42) SMN1; SMN2KCNH2NPC1RAB9APIK3CA
SCHEMBL4355330 0.78 GPR119 (0.39) MTORPIK3CA
SCHEMBL4348683 0.78 TNKS (0.41) SMN1; SMN2MTORNPC1RAB9APIK3CA
SCHEMBL4351738 0.78 TNKS (0.38) SMN1; SMN2MTORKCNH2NPC1RAB9A
SCHEMBL13586038 0.77 GPR119 (0.54) SMN1; SMN2

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-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO claimed