SCHEMBL19982579

SCHEMBL19982579

CCOP(Cc1ccc(COc2ccccc2CN2CCN(Cc3ccc4nc(-c5ccc(C(F)(F)F)cc5)[nH]c4c3)CC2)cc1)OCC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.44
KCNH2 Q12809 5/20 0.41
DGAT1 O75907 4/20 0.40
NPBWR1 P48145 5/20 0.40
GNRHR P30968 2/20 0.39
TACR2 P21452 1/20 0.39
HRH2 P25021 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
MAOB P27338 1/20 0.38
SOAT1 P35610 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
KDR P35968 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
PRMT5 O14744 1/20 0.38

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
SCHEMBL19982612 0.93 CYP1A2 (0.43) SLC2A1KCNH2DGAT1NPBWR1FGFR1
SCHEMBL19982578 0.85 SLC2A1 (0.45) SLC2A1KCNH2DGAT1NPBWR1GNRHR
SCHEMBL19982654 0.85 DRD4 (0.43) SLC2A1KCNH2DGAT1NPBWR1
SCHEMBL19970823 0.84 SLC2A1 (0.49) SLC2A1HDAC6
SCHEMBL19982561 0.82 SLC2A1 (0.46) SLC2A1KCNH2DGAT1NPBWR1GNRHR
SCHEMBL19982610 0.79 SLC2A1 (0.42) SLC2A1KCNH2NPBWR1FGFR1FLT1
SCHEMBL19970822 0.78 LMNA (0.45) SLC2A1GNRHRTACR2HRH2OPRM1
SCHEMBL19970810 0.78 CHEK2 (0.41) SLC2A1KCNH2DGAT1FGFR1FLT1
SCHEMBL23843052 0.77 ACACB (0.47) SLC2A1HDAC6PTGDR2
SCHEMBL19982585 0.77 DRD4 (0.42) SLC2A1KCNH2NPBWR1FGFR1FLT1

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
WO-2018050771-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-22 WO disclosed
EP-3296297-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-21 EP disclosed