SCHEMBL4054433

SCHEMBL4054433

Cn1nc(-c2ccc(OCCC3CCCCN3)cc2)c2ccccc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.53
MAPK1 P28482 4/20 0.53
LMNA P02545 4/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
TP53 P04637 3/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
PSMB1 P20618 1/20 0.45
PSMB5 P28074 1/20 0.45

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
SCHEMBL4057662 0.82 HRH3 (0.61) HRH3SMN1; SMN2MAPK1LMNAHPGD
SCHEMBL4053680 0.78 HRH3 (0.61) HRH3SMN1; SMN2MAPK1LMNAHPGD
SCHEMBL1376883 0.78 HRH3 (1.00) HRH3SMN1; SMN2MAPK1LMNATSHR
SCHEMBL1375125 0.78 HRH3 (1.00) HRH3SMN1; SMN2MAPK1LMNAHPGD
SCHEMBL1372565 0.77 HRH3 (1.00) HRH3SMN1; SMN2MAPK1
SCHEMBL1374349 0.77 HRH3 (1.00) HRH3SMN1; SMN2MAPK1
SCHEMBL1374951 0.76 HRH3 (0.58) HRH3SMN1; SMN2MAPK1LMNAHPGD
SCHEMBL1375438 0.75 HRH3 (1.00) HRH3
SCHEMBL1375436 0.75 HRH3 (1.00) HRH3
SCHEMBL4750535 0.75 MAPT (0.44) HRH3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069312-A2 PYRIDIZINONE DERIVATIVES Cephalon, Inc. (US) 2009-06-17 EP claimed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO claimed