SCHEMBL6034902

SCHEMBL6034902

CC(C)OC(=O)N1CCCc2nc(C(F)(F)F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 12/20 0.48
KCNH2 Q12809 5/20 0.46
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CETP P11597 3/20 0.39
ABHD6 Q9BV23 1/20 0.37
BRD4 O60885 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL5780853 0.96 IDO1 (0.45) IDO1KCNH2CYP3A4CYP2C9CETP
SCHEMBL4774603 0.79 IDO1 (0.44) IDO1KCNH2CYP3A4CYP2C9KDM4E
SCHEMBL6033408 0.77 KDM4E (0.43) IDO1KCNH2CYP3A4CYP2C9KDM4E
SCHEMBL6034336 0.76 CETP (0.52) CETPBRD4
SCHEMBL6033980 0.75 ALDH1A1 (0.42) IDO1KCNH2CYP3A4CYP2C9KDM4E
SCHEMBL30211951 0.75 NOTUM (0.57) CYP3A4CYP2C9ABHD6KDM4ESMN1; SMN2
SCHEMBL7832103 0.75 NOTUM (0.57) CYP3A4CYP2C9ABHD6KDM4ESMN1; SMN2
SCHEMBL6034226 0.74 CETP (0.53) CETP
SCHEMBL6033964 0.71 IDO1 (0.39) IDO1KCNH2CYP3A4CYP2C9CETP
SCHEMBL22397716 0.71 MPO (0.41) IDO1KCNH2CYP3A4CYP2C9BRD4

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