SCHEMBL20195993

SCHEMBL20195993

O=C(O)c1ccc(CN2CCCCC2)c(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HIF1A Q16665 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
DDR1 Q08345 10/20 0.45
MGLL Q99685 3/20 0.44
ALDH1A1 P00352 2/20 0.44
PKM P14618 2/20 0.44
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL17800213 0.88 DDR1 (0.50) MEN1KMT2ADDR1MGLLTSHR
SCHEMBL27999963 0.88 MGLL (0.49) DDR1MGLLALDH1A1
SCHEMBL20196015 0.84 DDR1 (0.46) L3MBTL1MEN1KMT2ADDR1MGLL
SCHEMBL16528124 0.82 MGLL (0.54) DDR1MGLL
SCHEMBL221544 0.81 KMT2A (0.60) CYP2D6CYP2C9HIF1AL3MBTL1MEN1
SCHEMBL3020407 0.80 CYP2D6 (0.52) CYP2D6CYP2C9HIF1AL3MBTL1MEN1
Hydrochloric Acid SCHEMBL6174627 0.80 L3MBTL1 (0.62) CYP2D6CYP2C9HIF1AL3MBTL1MEN1
SCHEMBL18403122 0.79 DDR1 (0.52) CYP2D6CYP2C9HIF1AMEN1KMT2A
SCHEMBL1427490 0.79 KDM4E (0.59) MEN1KMT2AMGLLALDH1A1TSHR
SCHEMBL20195981 0.78 KDM4E (0.62) CYP2D6CYP2C9HIF1AL3MBTL1MEN1

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
EP-2842939-B1 BENZAMIDE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-05-30 EP disclosed