SCHEMBL18517364

SCHEMBL18517364

O=C(O)N1CCC2(CN(CC(F)F)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
TSHR P16473 4/20 0.41
CYP2D6 P10635 12/20 0.40
USP2 O75604 5/20 0.37
CYP1A2 P05177 4/20 0.37
HIF1A Q16665 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 1/20 0.37
CYP3A4 P08684 5/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD11B1 P28845 1/20 0.35
ALOX15 P16050 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 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
SCHEMBL22230119 0.91 HSD17B10 (0.45) HSD17B10TSHRCYP2D6USP2CYP1A2
SCHEMBL18517455 0.90 CYP2D6 (0.43) HSD17B10TSHRCYP2D6USP2CYP2C9
SCHEMBL29088302 0.76 TSHR (0.60) HSD17B10TSHRCYP2D6USP2CYP1A2
SCHEMBL29418104 0.75 HSD11B1 (0.42) USP2HIF1ACYP2C19CYP3A4ALDH1A1
SCHEMBL23443978 0.73 HSD17B10 (0.33) HSD17B10CYP2D6
SCHEMBL25044367 0.73 HSD17B10 (0.35) HSD17B10TSHRCYP2D6USP2CYP1A2
SCHEMBL22230120 0.72 TSHR (0.47) HSD17B10TSHRCYP2D6USP2CYP1A2
SCHEMBL15618729 0.71 HSD11B1 (0.47) USP2HIF1ACYP2C19CYP3A4HSD11B1
SCHEMBL15140812 0.71 PIK3CD (0.45) HSD17B10USP2CYP3A4ALDH1A1ALOX15
SCHEMBL4073020 0.71 HSD11B1 (0.51) USP2HIF1ACYP2C19CYP3A4HSD11B1

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
WO-2017027687-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND THEIR USE AS METAP2 INHIBITORS ZAFGEN, INC. (US) 2017-02-16 WO disclosed