SCHEMBL12835587

SCHEMBL12835587

CS(=O)(=O)CCc1ccc(-n2ncc3c(OC4CCNCC4)ncnc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.54
CYP2C9 P11712 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
XDH P47989 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL390767 0.85 GPR119 (0.68) GPR119CYP2C9KCNH2
Hydrochloric Acid SCHEMBL1244784 0.85 GPR119 (0.67) GPR119CYP2C9KCNH2
SCHEMBL3495404 0.82 GPR119 (0.78) GPR119CYP2C9KCNH2
SCHEMBL28776749 0.80 GPR119 (0.48) GPR119ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL27769080 0.77 GPR119 (0.66) GPR119CYP2C9KCNH2SMN1; SMN2
SCHEMBL12904116 0.77 GPR119 (0.50) GPR119ALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL1245728 0.75 GPR119 (0.65) GPR119CYP2C9KCNH2ALDH1A1
Tert-Butyl Formate SCHEMBL27659922 0.75 GPR119 (0.55) GPR119ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL1243498 0.73 GPR119 (0.70) GPR119CYP2C9KCNH2
Hydrochloric Acid SCHEMBL1245402 0.73 GPR119 (0.69) GPR119CYP2C9KCNH2

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-2292620-A2 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prohylaxis and treatment of disorders related thereto Arena Pharmaceuticals, Inc. (US) 2011-03-09 EP disclosed