SCHEMBL6608759

SCHEMBL6608759

Cc1ccc(C)c(N2CC(OC(=O)Nc3ccc(Nc4ccccc4)cc3)CC2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
BCHE P06276 4/20 0.41
ALDH1A1 P00352 3/20 0.41
CHRNA7 P36544 2/20 0.40
ACHE P22303 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6609911 0.92 MAPT (0.43) MAPTBCHEALDH1A1CHRNA7ACHE
SCHEMBL6610439 0.90 MAPT (0.45) MAPTALDH1A1ACHELMNATP53
SCHEMBL6611071 0.89 MAPT (0.43) MAPTBCHEALDH1A1MEN1KMT2A
SCHEMBL6616178 0.89 SMN1; SMN2 (0.47) MAPTALDH1A1LMNAHSD17B10MEN1
SCHEMBL6610923 0.89 HSD17B10 (0.42) MAPTALDH1A1LMNATP53HSD17B10
SCHEMBL6611117 0.89 MAPT (0.41) MAPTALDH1A1LMNATP53HSD17B10
SCHEMBL6615605 0.88 MGLL (0.52) MAPTALDH1A1TP53MEN1KMT2A
SCHEMBL6610069 0.88 MEN1 (0.43) MAPTBCHEALDH1A1LMNATP53
SCHEMBL6614360 0.87 MEN1 (0.41) MAPTALDH1A1LMNATP53HSD17B10
SCHEMBL6615199 0.87 MAPK1 (0.47) MAPTALDH1A1TP53HSD17B10MEN1

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
EP-1463724-A1 PYRROLIDONE CARBOXAMIDES Actelion Pharmaceuticals Ltd. (CH) 2004-10-06 EP disclosed
WO-2003059905-A1 PYRROLIDONE CARBOXAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2003-07-24 WO disclosed