SCHEMBL18638641

SCHEMBL18638641

CC(C)(O)CN1CNc2ccc(-c3ccc(C(F)(F)F)cc3Cl)cc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.36
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE2A O00408 1/20 0.32
RORC P51449 2/20 0.32
PDK2 Q15119 2/20 0.32
GCGR P47871 6/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ARF6 P62330 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
SCHEMBL20393105 0.92 GRM2 (0.35) GRM2PRMT5WDR77NPSR1PDE2A
SCHEMBL18638652 0.92 GRM2 (0.36) GRM2PRMT5WDR77NPSR1PDE2A
SCHEMBL20393147 0.89 APP (0.42) GRM2RORC
SCHEMBL18638639 0.87 AHR (0.36) PDK2
SCHEMBL18638358 0.85 ALOX5AP (0.39) RORCMEN1ALDH1A1GAAMAPT
SCHEMBL18638540 0.85 KIF11 (0.39) MEN1ALDH1A1GAAMAPTMAPK1
SCHEMBL18638644 0.83 SCN9A (0.39)
SCHEMBL20393281 0.82 PARP10 (0.38) ALDH1A1MAPTL3MBTL1
SCHEMBL18638637 0.81 FASN (0.34) GRM2RORC
SCHEMBL18638664 0.81 APP (0.42) GRM2RORC

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-2017043636-A1 NOVEL BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE OF SAME 大日本住友製薬株式会社 2017-03-16 WO disclosed