SCHEMBL20196015

SCHEMBL20196015

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 9/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MGLL Q99685 1/20 0.43

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
SCHEMBL28000113 0.88 MGLL (0.49) DDR1ALDH1A1MGLL
SCHEMBL20195993 0.84 CYP2D6 (0.49) DDR1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL16528359 0.84 MGLL (0.51) DDR1ALDH1A1SMN1; SMN2MGLL
SCHEMBL20196012 0.84 DDR1 (0.51) DDR1ALDH1A1L3MBTL1KCNH2HRH3
SCHEMBL16527897 0.81 DDR1 (0.54) DDR1
SCHEMBL16528286 0.81 DDR1 (0.54) DDR1
SCHEMBL16527898 0.81 DDR1 (0.54) DDR1
SCHEMBL16335257 0.81 DDR1 (0.51) DDR1ALDH1A1KMT2ASMN1; SMN2MGLL
SCHEMBL16528089 0.79 DDR1 (0.52) DDR1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL16528090 0.79 DDR1 (0.50) DDR1

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