SCHEMBL8529533

SCHEMBL8529533

CCCCN(CCCC)C(C)NC(=O)c1cc([N+](=O)[O-])c2ccccc2c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
CTSB P07858 1/20 0.37
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
POLB P06746 2/20 0.36
CYP2C19 P33261 1/20 0.36
VCAM1 P19320 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ABCB1 P08183 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35

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 SCHEMBL9091515 0.99 DRD2 (0.39) DRD2DRD3HTTSMN1; SMN2CTSB
SCHEMBL8527632 0.90 HTT (0.42) DRD2DRD3HTTSMN1; SMN2CTSB
SCHEMBL8528941 0.84 DRD3 (0.46) DRD2DRD3
Hydrochloric Acid SCHEMBL9091554 0.83 DRD3 (0.45) DRD2DRD3
SCHEMBL8526371 0.81 DRD3 (0.52) DRD2DRD3HPGDALDH1A1CYP1A2
SCHEMBL8527910 0.81 DRD2 (0.48) DRD2DRD3HTTSMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL8528647 0.80 DRD2 (0.47) DRD2DRD3HTTSMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL9092510 0.80 DRD3 (0.51) DRD2DRD3HTTHPGDALDH1A1
SCHEMBL8525974 0.76 PRMT5 (0.51) DRD2DRD3HTTSMN1; SMN2HPGD
SCHEMBL8967277 0.73 ALDH1A1 (0.54) DRD2DRD3HTTSMN1; SMN2HPGD

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