SCHEMBL5310171

SCHEMBL5310171

CCCc1nn(C(C)C)c(=O)c(CCc2ccccc2)c1-c1ccccc1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.42
POLB P06746 1/20 0.40
GCGR P47871 2/20 0.39
PDE5A O76074 1/20 0.39
USP2 O75604 1/20 0.37
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
KDM5A P29375 1/20 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
SCHEMBL5311949 0.85 CASR (0.47) CASRPOLBGCGRUSP2PDE4A
SCHEMBL5310159 0.83 PDE4A (0.41) CASRPOLBPDE4APDE4BPDE4C
SCHEMBL5310935 0.82 CASR (0.48) CASRPOLB
SCHEMBL5314867 0.76 CASR (0.44) CASRTP53MAPT
SCHEMBL5308386 0.75 CASR (0.54) CASR
SCHEMBL5313138 0.73 CASR (0.53) CASRUSP2TP53MAPT
SCHEMBL11965015 0.71 POLB (0.41) POLBGCGRPDE5AUSP2PDE4A
SCHEMBL5308833 0.69 CASR (0.43) CASRPDE5AUSP2PDE4APDE4B
SCHEMBL5444271 0.68 CASR (0.47) CASRTP53MAPT
SCHEMBL5313085 0.68 CASR (0.51) CASR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO claimed
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed