SCHEMBL8526371

SCHEMBL8526371

CCCCN(CCCC)C(C)NC(=O)c1cc(C#N)c2ccccc2c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2D6 P10635 1/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
DRD2 P14416 3/20 0.47
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD4 P21917 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CNR2 P34972 2/20 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
Hydrochloric Acid SCHEMBL9092510 0.99 DRD3 (0.51) DRD3KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL8528941 0.85 DRD3 (0.46) DRD3DRD2DRD4
Hydrochloric Acid SCHEMBL9091554 0.84 DRD3 (0.45) DRD3DRD2DRD4
SCHEMBL8529533 0.81 DRD2 (0.40) DRD3ALDH1A1CYP1A2CYP3A4DRD2
SCHEMBL8526372 0.81 KDM4E (0.57) DRD3KDM4EALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9091515 0.80 DRD2 (0.39) DRD3ALDH1A1CYP1A2CYP3A4DRD2
Hydrochloric Acid SCHEMBL8526377 0.80 KDM4E (0.56) DRD3KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL8529262 0.73 SIGMAR1 (0.48) DRD3DRD2DRD4
SCHEMBL9090897 0.73 KDM4E (0.55) DRD3KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL7392064 0.72 DRD3 (0.62) DRD3KDM4EALDH1A1CYP1A2CYP3A4

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-0539281-B1 Naphthamides, process for their preparation and their application in the therapeutical field INST NAT SANTE RECH MED (FR) 1998-12-30 EP claimed