SCHEMBL18638652

SCHEMBL18638652

CC(C)(O)CN1CNc2cc(-c3ccc(C(F)(F)F)cc3Cl)ccc21

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
GPR119 Q8TDV5 1/20 0.32
PDK2 Q15119 2/20 0.32
MARS1 P56192 1/20 0.32
GCGR P47871 3/20 0.32
MC2R Q01718 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
MC4R P32245 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
SCHEMBL18638641 0.92 GRM2 (0.36) GRM2PRMT5WDR77NPSR1PDE2A
SCHEMBL18638664 0.89 APP (0.42) GRM2
SCHEMBL18638341 0.87 MARS1 (0.38) PDK2MARS1
SCHEMBL18638342 0.85 KIF11 (0.36) MARS1KDM4EMEN1GAAMAPT
SCHEMBL20393105 0.83 GRM2 (0.35) GRM2PRMT5WDR77NPSR1PDE2A
SCHEMBL18638656 0.83 PGR (0.34) GRM2PDK2
SCHEMBL18638653 0.82 PARP10 (0.38) MAPT
SCHEMBL18638339 0.81 FASN (0.34) GRM2
SCHEMBL20393147 0.81 APP (0.42) GRM2
SCHEMBL18638527 0.80 GRM2 (0.34) GRM2PRMT5WDR77

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