SCHEMBL21390969

SCHEMBL21390969

CN(C(=O)CC(C)(C)C)c1nc2cccc(OC(F)(F)F)c2n1C1CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.38
LITAF Q99732 1/20 0.38
IDH1 O75874 2/20 0.34
MGLL Q99685 1/20 0.34
SCN9A Q15858 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
HCRTR2 O43614 4/20 0.33
HCRTR1 O43613 3/20 0.33
EGFR P00533 2/20 0.33
PROKR1 Q8TCW9 1/20 0.33
SSTR1 P30872 2/20 0.32
SSTR4 P31391 2/20 0.32
HCAR1 Q9BXC0 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
GRK6 P43250 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL21354685 0.82 EGFR (0.42) TNFLITAFIDH1EGFRSSTR1
SCHEMBL21354627 0.77 EGFR (0.41) TNFLITAFIDH1HCRTR2HCRTR1
SCHEMBL21391029 0.75 PLA2G1B (0.33) OPRM1OPRD1OPRK1OGFRL1MAPT
SCHEMBL21390679 0.74 TNF (0.36) TNFLITAFIDH1MGLLHCRTR2
SCHEMBL21390891 0.73 TNF (0.36) TNFLITAFIDH1MGLLHCRTR2
SCHEMBL21354604 0.71 EGFR (0.40) HCRTR2HCRTR1EGFROPRM1OPRD1
SCHEMBL21391028 0.69 MAPT (0.30) MAPT
SCHEMBL21390924 0.67 HTR3A (0.34) TNFLITAF
SCHEMBL21354583 0.66 EGFR (0.35) IDH1EGFR
SCHEMBL17586619 0.65 EGFR (0.52) EGFROPRM1OPRD1OPRK1OGFRL1

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-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed