SCHEMBL11983103

SCHEMBL11983103

CC(=O)NC[C@@H]1CC(=O)N(c2ccc(-c3ccc(CSc4ccncc4)cc3)c(F)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 5/20 0.42
MAOA P21397 5/20 0.40
BPTF Q12830 1/20 0.38
MAOB P27338 2/20 0.37
LMNA P02545 1/20 0.37
PTGS1 P23219 1/20 0.37
SDHA P31040 1/20 0.37
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA2B P08514 1/20 0.35
ITGA5 P08648 1/20 0.35
ITGB5 P18084 1/20 0.35

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
SCHEMBL1393834 0.85 CALML3 (0.59) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL12075276 0.84 MAOA (0.40) CALML3MAOABPTFMAOBLMNA
SCHEMBL1393511 0.81 CALML3 (0.59) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL3171878 0.81 CALML3 (0.59) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL14386911 0.78 BPTF (0.43) CALML3MAOABPTFMAOBLMNA
SCHEMBL14387394 0.76 MAOA (0.38) CALML3MAOABPTFMAOBLMNA
SCHEMBL11983134 0.76 MAOA (0.40) CALML3MAOABPTFMAOBLMNA
SCHEMBL1393541 0.76 CALML3 (0.61) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL1393244 0.72 MAOA (0.56) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL6302777 0.72 CALML3 (0.74) CALML3MAOAMAOBLMNAPTGS1

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-1656370-B1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB X PHARMACEUTICALS INC (US) 2012-08-15 EP disclosed