SCHEMBL8526014

SCHEMBL8526014

C=CCN1CCCC1CNC(=O)c1cc(Cl)c2ccccc2c1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.65
DRD3 P35462 8/20 0.65
DRD4 P21917 6/20 0.65
SIGMAR1 Q99720 6/20 0.63
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
HTR1A P08908 1/20 0.61
ADRA2A P08913 1/20 0.61
ADRA2B P18089 1/20 0.61
ADRA2C P18825 1/20 0.61
DRD1 P21728 1/20 0.61
CA4 P22748 1/20 0.61
CA6 P23280 1/20 0.61
HTR2A P28223 1/20 0.61
SLC6A4 P31645 1/20 0.61
CA5A P35218 1/20 0.61
CA7 P43166 1/20 0.61
KCNH2 Q12809 1/20 0.61
CA9 Q16790 1/20 0.61

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
SCHEMBL8527005 0.90 SIGMAR1 (0.68) DRD2DRD3DRD4SIGMAR1DRD1
Hydrochloric Acid SCHEMBL9091536 0.89 SIGMAR1 (0.67) DRD2DRD3DRD4SIGMAR1DRD1
SCHEMBL8526450 0.87 DRD3 (0.68) DRD2DRD3DRD4SIGMAR1DRD1
SCHEMBL8528423 0.87 SIGMAR1 (0.81) DRD2DRD3SIGMAR1KDM4EALDH1A1
SCHEMBL8528369 0.87 DRD3 (0.76) DRD2DRD3DRD4SIGMAR1CA12
SCHEMBL8526374 0.86 DRD2 (0.61) DRD2DRD3DRD4SIGMAR1CA12
SCHEMBL8526543 0.79 DRD3 (0.68) DRD2DRD3SIGMAR1KDM4EALDH1A1
SCHEMBL10355478 0.79 DRD2 (1.00) DRD2DRD3DRD4CA12CA1
SCHEMBL27678962 0.79 DRD2 (1.00) DRD2DRD3DRD4CA12CA1
SCHEMBL10355479 0.79 DRD2 (1.00) DRD2DRD3DRD4CA12CA1

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-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