SCHEMBL3769724

SCHEMBL3769724

Cc1noc(NC(=O)N2CCN(c3nc(-c4ccccc4)cs3)CC2)c1C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.73
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
ALDH1A1 P00352 7/20 0.56
HSD17B10 Q99714 2/20 0.56
MAPT P10636 8/20 0.55
HTT P42858 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPK1 P28482 5/20 0.52
LMNA P02545 4/20 0.52
TP53 P04637 2/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL3772075 0.91 FAAH (0.62) FAAHRAB9ANPC1ALDH1A1HSD17B10
SCHEMBL3761321 0.90 FAAH (0.74) FAAHRAB9ANPC1ALDH1A1MAPT
SCHEMBL3772038 0.90 FAAH (0.68) FAAHRAB9ANPC1ALDH1A1HSD17B10
SCHEMBL3766248 0.89 FAAH (0.61) FAAHRAB9AALDH1A1HSD17B10MAPT
SCHEMBL3772454 0.89 FAAH (0.75) FAAHRAB9ANPC1ALDH1A1HSD17B10
SCHEMBL3763272 0.88 MAPT (0.72) FAAHALDH1A1HSD17B10MAPTHTT
SCHEMBL3771228 0.87 FAAH (0.76) FAAHRAB9ANPC1ALDH1A1HSD17B10
SCHEMBL3771739 0.87 FAAH (0.60) FAAHRAB9ANPC1ALDH1A1HSD17B10
SCHEMBL3770539 0.87 FAAH (0.60) FAAHRAB9ANPC1ALDH1A1HSD17B10
SCHEMBL3765717 0.87 FAAH (0.60) FAAHRAB9ANPC1ALDH1A1HSD17B10

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
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed