SCHEMBL8527632

SCHEMBL8527632

CCN(CC)C(C)NC(=O)c1cc([N+](=O)[O-])c2ccccc2c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
PKM P14618 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
ABCB1 P08183 1/20 0.37
CTSB P07858 1/20 0.37

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
SCHEMBL8529533 0.90 DRD2 (0.40) HTTDRD2DRD3SMN1; SMN2GLA
Hydrochloric Acid SCHEMBL9091515 0.89 DRD2 (0.39) HTTDRD2DRD3SMN1; SMN2GLA
SCHEMBL8529262 0.82 SIGMAR1 (0.48) DRD2DRD3
SCHEMBL8525974 0.79 PRMT5 (0.51) HTTDRD2DRD3SMN1; SMN2HPGD
SCHEMBL11399774 0.77 HTT (0.40) HTTDRD2SMN1; SMN2GLAHPGD
SCHEMBL8967277 0.76 ALDH1A1 (0.54) HTTDRD2DRD3SMN1; SMN2HPGD
SCHEMBL8526354 0.76 DRD2 (0.43) DRD2DRD3SMN1; SMN2POLBALDH1A1
SCHEMBL7443000 0.75 TSHR (0.49) SMN1; SMN2HPGDALDH1A1CYP3A4PKM
SCHEMBL8527910 0.74 DRD2 (0.48) HTTDRD2DRD3SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL8528647 0.73 DRD2 (0.47) HTTDRD2DRD3SMN1; 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 2 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
US-5498628-A ANTIPSYCHOTIC, PSYCHOSTIMULATORY, ANTIAUTISTIC, ANTIDEPRESSANT AND HYPOTENSIVE AGENTS, PARKINSON'S DISEASE INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-03-12 US disclosed