SCHEMBL6969733

SCHEMBL6969733

O=Cc1ccn(Cc2ccc(F)c(F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 18/20 0.46
CACNA1H O95180 18/20 0.46
CACNA1I Q9P0X4 18/20 0.46
CACNA1C Q13936 1/20 0.46
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL5412525 0.81 SMN1; SMN2 (0.47) CACNA1GCACNA1HCACNA1IALDH1A1HTT
SCHEMBL16347294 0.78 CACNA1G (0.50) CACNA1GCACNA1HCACNA1ICACNA1CALDH1A1
SCHEMBL27268228 0.77 ALDH1A1 (0.39) ALDH1A1
SCHEMBL17316676 0.76 L3MBTL1 (0.65) CACNA1GCACNA1HCACNA1ICACNA1CALDH1A1
SCHEMBL6078089 0.76 CACNA1G (0.48) CACNA1GCACNA1HCACNA1ICACNA1CALDH1A1
SCHEMBL18365943 0.75 CACNA1G (0.59) CACNA1GCACNA1HCACNA1ICACNA1C
SCHEMBL30587615 0.75 CACNA1G (0.59) CACNA1GCACNA1HCACNA1ICACNA1C
SCHEMBL30587614 0.75 CACNA1G (0.59) CACNA1GCACNA1HCACNA1ICACNA1C
SCHEMBL16388102 0.75 ALDH1A1 (0.62) CACNA1GCACNA1HCACNA1IALDH1A1HTT
SCHEMBL16347241 0.75 HDAC1 (0.50) ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3760625-A1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2021-01-06 EP disclosed
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed
US-6566376-B1 For therapy of chemokine receptor related diseases and conditions such as rheumatoid arthritis, chronic obstructive pulmonary disease ASTRAZENECA UK LIMITED (GB) 2003-05-20 US disclosed
EP-1202984-B1 DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LTD (GB) 2003-03-05 EP disclosed
EP-1202984-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE AstraZeneca UK Limited (GB) 2002-05-08 EP disclosed
WO-2001005782-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LIMITED (GB) 2001-01-25 WO disclosed