SCHEMBL6033964

SCHEMBL6033964

COc1nc2c(cc1C)N(C(=O)OC(C)C)CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.39
KCNH2 Q12809 4/20 0.39
CYP2D6 P10635 8/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 4/20 0.39
CYP2C19 P33261 2/20 0.39
GLA P06280 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 4/20 0.36
CYP2C9 P11712 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 7/20 0.36
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6033408 0.79 KDM4E (0.43) IDO1KCNH2ALDH1A1HSD17B10KDM4E
SCHEMBL4774603 0.74 IDO1 (0.44) IDO1KCNH2CYP2D6KDM4EMAPT
SCHEMBL4774567 0.74 KDM4E (0.34) IDO1KCNH2CYP2D6ALDH1A1HSD17B10
SCHEMBL11888090 0.74 KDM4E (0.39) ALDH1A1HSD17B10CYP2C19KDM4EMAPT
SCHEMBL31287151 0.73 OPRK1 (0.40) IDO1KCNH2ALDH1A1HSD17B10KDM4E
SCHEMBL6034902 0.71 IDO1 (0.48) IDO1KCNH2KDM4ECYP2C9CYP3A4
SCHEMBL6033980 0.70 ALDH1A1 (0.42) IDO1KCNH2ALDH1A1KDM4EMAPT
SCHEMBL4773023 0.70 KDM4E (0.39) IDO1KCNH2CYP2D6ALDH1A1HSD17B10
SCHEMBL7820992 0.69 KDM4E (0.48) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL5780853 0.68 IDO1 (0.45) IDO1KCNH2CYP2C9CYP3A4CETP

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-1735320-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-12-27 EP claimed
WO-2005097806-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2005-10-20 WO claimed