SCHEMBL10465232

SCHEMBL10465232

CC(N)=CC(=O)OCCCNc1ccc(C2=NNC(=O)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
MAPT P10636 3/20 0.43
KCNH2 Q12809 1/20 0.42
KMT2A Q03164 1/20 0.41
PDE3B Q13370 8/20 0.41
PDE3A Q14432 7/20 0.40
PDE4B Q07343 3/20 0.40
PDE4A P27815 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
HRH3 Q9Y5N1 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL10465231 1.00 LMNA (0.46) LMNANPY1RNPY2RMAPTKCNH2
SCHEMBL10464826 0.97 LMNA (0.45) LMNANPY1RNPY2RMAPTKCNH2
SCHEMBL10464825 0.97 LMNA (0.45) LMNANPY1RNPY2RMAPTKCNH2
SCHEMBL10463518 0.96 LMNA (0.44) LMNANPY1RNPY2RMAPTKCNH2
SCHEMBL10463519 0.96 LMNA (0.44) LMNANPY1RNPY2RMAPTKCNH2
SCHEMBL10464942 0.84 LMNA (0.52) LMNANPY1RNPY2RMAPTKCNH2
SCHEMBL7355237 0.83 MAPT (0.47) LMNANPY1RNPY2RMAPTKCNH2
SCHEMBL7299483 0.80 MAPT (0.46) LMNANPY1RNPY2RMAPTKCNH2
SCHEMBL10757278 0.80 KCNH2 (0.48) LMNANPY1RNPY2RMAPTKCNH2
SCHEMBL10562531 0.80 MAPT (0.46) LMNANPY1RNPY2RMAPTKCNH2

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
US-4898865-A FOR CIRCULATORY DISEASES, THROMBOSES BAYER AKTIENGESELLSCHAFT (DE) 1990-02-06 US disclosed