SCHEMBL18517455

SCHEMBL18517455

O=C(O)N1CCC2(CCN(CC(F)F)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 11/20 0.43
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
HSD11B1 P28845 2/20 0.38
CYP3A4 P08684 4/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 3/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B10 Q99714 1/20 0.36
USP2 O75604 2/20 0.36
MAPK1 P28482 1/20 0.35
ALOX15 P16050 1/20 0.35
SPR P35270 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
SCHEMBL18517364 0.90 HSD17B10 (0.41) CYP2D6OPRM1OPRD1OPRK1HSD11B1
SCHEMBL22230119 0.84 HSD17B10 (0.45) CYP2D6OPRM1OPRD1OPRK1CYP3A4
SCHEMBL29418104 0.79 HSD11B1 (0.42) OPRM1HSD11B1CYP3A4ALDH1A1USP2
SCHEMBL28583397 0.76 CYP2D6 (0.38) CYP2D6HSD11B1CYP3A4ALDH1A1TSHR
SCHEMBL4073020 0.75 HSD11B1 (0.51) HSD11B1CYP3A4USP2SPR
SCHEMBL15140812 0.75 PIK3CD (0.45) OPRM1OPRD1OPRK1CYP3A4ALDH1A1
SCHEMBL15618729 0.75 HSD11B1 (0.47) HSD11B1CYP3A4USP2SPR
SCHEMBL4066199 0.74 HSD11B1 (0.54) HSD11B1CYP3A4USP2SPR
Hydrochloric Acid SCHEMBL30751767 0.74 HSD11B1 (0.46) HSD11B1CYP3A4USP2SPR
SCHEMBL18497966 0.73 OPRM1 (0.32) OPRM1OPRD1OPRK1

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