SCHEMBL4079134

SCHEMBL4079134

CCN1C(C)=C(C(=O)O)C(CC)(c2ccc(N(C)C)cc2[N+](=O)[O-])C(C(=O)O)=C1C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGS2 P35354 5/20 0.40
BACE1 P56817 4/20 0.36
HCAR3 P49019 4/20 0.36
GRK6 P43250 1/20 0.36
ACHE P22303 4/20 0.34
BCHE P06276 2/20 0.33

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
SCHEMBL4755372 0.82 TSHR (0.39) MAPT
SCHEMBL3396115 0.78 GPR35 (0.41) MAPT
SCHEMBL3392997 0.72 TDP1 (0.40) MAPTACHE
SCHEMBL4758286 0.70 TSHR (0.36) MAPT
SCHEMBL4756152 0.67 LMNA (0.33) NPSR1
SCHEMBL4755316 0.67 HCAR2 (0.36)
SCHEMBL4758299 0.67 LMNA (0.42) BACE1HCAR3
SCHEMBL1371283 0.67 MAPT (0.57) MAPTNPSR1PTGS2BACE1HCAR3
Hydrochloric Acid SCHEMBL1890620 0.66 MAPT (0.56) MAPTNPSR1PTGS2BACE1HCAR3
SCHEMBL10874214 0.65 TDP1 (0.38) MAPTNPSR1ACHE

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-2009006580-A1 OPTIONALLY CONDENSED DIHYDROPYRIDINE, DIHYDROPYRIMIDINE AND DIHYDROPYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2009-01-08 WO disclosed