SCHEMBL8526355

SCHEMBL8526355

COc1c(C(=O)NCCN2CCOCC2)cc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
DRD3 P35462 13/20 0.64
DRD2 P14416 11/20 0.64
LMNA P02545 3/20 0.60
CYP2C19 P33261 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL8525948 0.84 DRD3 (0.78) DRD3DRD2
SCHEMBL18186633 0.81 MEN1 (0.58) MEN1KMT2ADRD3DRD2LMNA
SCHEMBL8526354 0.80 DRD2 (0.43) MEN1KMT2ADRD3DRD2SMN1; SMN2
SCHEMBL7442570 0.79 DRD2 (0.69) MEN1KMT2ADRD3DRD2LMNA
SCHEMBL8967296 0.78 DRD3 (0.51) DRD3DRD2
Hydrochloric Acid SCHEMBL8967334 0.77 DRD3 (0.51) DRD3DRD2
SCHEMBL8525974 0.77 PRMT5 (0.51) DRD3DRD2LMNASMN1; SMN2KDM4E
SCHEMBL8525826 0.77 SIGMAR1 (0.57) DRD3DRD2
SCHEMBL1186200 0.76 LMNA (0.74) MEN1KMT2ALMNACYP2C19SMN1; SMN2
SCHEMBL9246238 0.75 LMNA (0.72) MEN1KMT2ALMNACYP2C19SMN1; SMN2

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