SCHEMBL8526372

SCHEMBL8526372

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 4/20 0.57
DRD3 P35462 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
ALOX15 P16050 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
MAPK1 P28482 1/20 0.57
DRD2 P14416 1/20 0.57
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 2/20 0.45
ABCB11 O95342 1/20 0.45
SCN1A P35498 1/20 0.45
OPRK1 P41145 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1C Q13936 1/20 0.45
SCN5A Q14524 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
Hydrochloric Acid SCHEMBL8526377 0.99 KDM4E (0.56) KDM4EALDH1A1DRD3CYP1A2CYP2D6
SCHEMBL8527038 0.84 DRD3 (0.55) DRD3DRD2
Hydrochloric Acid SCHEMBL8528848 0.83 DRD3 (0.54) DRD3DRD2
SCHEMBL7392064 0.82 DRD3 (0.62) KDM4EALDH1A1DRD3CYP1A2CYP2D6
SCHEMBL8527910 0.81 DRD2 (0.48) KDM4EALDH1A1DRD3CYP1A2CYP2D6
SCHEMBL8526371 0.81 DRD3 (0.52) KDM4EALDH1A1DRD3CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL8528647 0.80 DRD2 (0.47) KDM4EALDH1A1DRD3CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL9092510 0.80 DRD3 (0.51) KDM4EALDH1A1DRD3CYP1A2CYP2D6
SCHEMBL8526913 0.74 DRD3 (0.58) DRD3CYP1A2CYP2D6DRD2
SCHEMBL9090897 0.73 KDM4E (0.55) KDM4EALDH1A1DRD3CYP1A2CYP2D6

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 4 patents. 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
EP-0539281-A1 New naphthamides, process for their preparation and their application in the therapeutical field INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-04-28 EP claimed
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 disclosed
EP-0539281-A1 New naphthamides, process for their preparation and their application in the therapeutical field INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-04-28 EP disclosed