SCHEMBL11889756

SCHEMBL11889756

CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(-c4ccccc4)cc3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.68
NAMPT P43490 1/20 0.64
ALDH1A1 P00352 1/20 0.62
ESR2 Q92731 1/20 0.62
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TSHR P16473 1/20 0.60
USP2 O75604 2/20 0.57
TP53 P04637 1/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CYP2C19 P33261 1/20 0.56
JAK2 O60674 1/20 0.55
JAK3 P52333 1/20 0.55
MCHR1 Q99705 2/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL5081454 0.93 NAMPT (0.65) MAPTNAMPTALDH1A1ESR2NPC1
SCHEMBL29803251 0.92 MAPT (0.69) MAPTNAMPTALDH1A1ESR2NPC1
SCHEMBL30182423 0.92 MAPT (0.69) MAPTNAMPTALDH1A1ESR2NPC1
SCHEMBL11889653 0.91 NPC1 (0.64) MAPTNAMPTALDH1A1ESR2NPC1
SCHEMBL24891887 0.90 MAPT (0.64) MAPTNAMPTALDH1A1ESR2NPC1
SCHEMBL2454198 0.88 MAPT (0.64) MAPTNAMPTALDH1A1ESR2NPC1
SCHEMBL2455257 0.88 MAPT (0.64) MAPTNAMPTALDH1A1ESR2NPC1
SCHEMBL11960760 0.88 KMT2A (0.71) MAPTNAMPTALDH1A1NPC1RAB9A
SCHEMBL5542227 0.87 GPR119 (0.65) MAPTNAMPTALDH1A1ESR2SMN1; SMN2
SCHEMBL24891709 0.87 NAMPT (0.61) MAPTNAMPTALDH1A1ESR2NPC1

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
EP-1799663-B1 Modulators of HCV replication ANGELETTI P IST RICHERCHE BIO (IT) 2012-08-01 EP disclosed