SCHEMBL8525823

SCHEMBL8525823

CCN1CCCC1CNC(=O)c1cc([N+](=O)[O-])c2ccccc2c1OC

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.67
SIGMAR1 Q99720 2/20 0.61
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
ALOX15 P16050 1/20 0.60
MAPK1 P28482 1/20 0.60
DRD3 P35462 1/20 0.60

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
SCHEMBL8526471 0.91 SIGMAR1 (0.75) DRD2SIGMAR1KDM4EALDH1A1CYP1A2
SCHEMBL8526374 0.90 DRD2 (0.61) DRD2SIGMAR1KDM4EALDH1A1CYP1A2
SCHEMBL8526543 0.85 DRD3 (0.68) DRD2SIGMAR1KDM4EALDH1A1CYP1A2
SCHEMBL11049393 0.85 DRD2 (0.73) DRD2
SCHEMBL8527239 0.85 SIGMAR1 (0.65) DRD2SIGMAR1KDM4EALDH1A1CYP1A2
SCHEMBL8527005 0.85 SIGMAR1 (0.68) DRD2SIGMAR1KDM4EALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL9088683 0.85 DRD3 (0.67) DRD2SIGMAR1KDM4EALDH1A1CYP1A2
SCHEMBL8527031 0.85 SIGMAR1 (0.82) DRD2SIGMAR1DRD3
Hydrochloric Acid SCHEMBL9091536 0.84 SIGMAR1 (0.67) DRD2SIGMAR1KDM4EALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL9092327 0.84 SIGMAR1 (0.81) DRD2SIGMAR1DRD3

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 5 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
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
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