SCHEMBL5229740

SCHEMBL5229740

CN(C)CCCOC(Cl)c1nc2c([nH]1)-c1ccccc1Oc1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.35
CACNA1B Q00975 1/20 0.35
PTPN1 P18031 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
TOP2A P11388 3/20 0.32
HTR1B P28222 1/20 0.31
MAOB P27338 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL4697390 0.88 CACNA1H (0.35) CACNA1HCACNA1BPTPN1BCHEACHE
SCHEMBL4694071 0.82 SIGMAR1 (0.33) CACNA1HCACNA1B
SCHEMBL5233167 0.81 CACNA1H (0.32) CACNA1HCACNA1B
SCHEMBL4693268 0.81 LMNA (0.35) ACHEALDH1A1MAPK1HSD17B10
SCHEMBL4695703 0.79 CACNA1H (0.34) CACNA1HCACNA1BPTPN1BCHEACHE
SCHEMBL6322408 0.78 CACNA1H (0.36) CACNA1HCACNA1BBCHEACHEMAOB
SCHEMBL4695750 0.76 MAPK1 (0.31) MAPK1
SCHEMBL4692972 0.76 MAPK1 (0.31) MAPK1
SCHEMBL4695304 0.76 SLC6A2 (0.33) MAPK1
SCHEMBL4692912 0.75 LMNA (0.30) MAPK1

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-1684749-B1 USE OF 1,3-DIAZA-DIBENZO[e,h] AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2007-09-05 EP claimed