SCHEMBL9196264

SCHEMBL9196264

CCC1OC1(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
KCNN4 O15554 3/20 0.33
HSD11B1 P28845 2/20 0.33
SLC6A3 Q01959 4/20 0.33
SLC6A2 P23975 2/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRND Q07001 1/20 0.33
SLC6A4 P31645 2/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL10961510 0.74 MAOB (0.40) MAOBMAOAKCNN4HSD11B1SLC6A3
SCHEMBL2173336 0.64 SLC6A3 (0.42) MAOBMAOAHSD11B1SLC6A3SLC6A2
SCHEMBL2175183 0.61 SLC6A3 (0.40) MAOBMAOAHSD11B1SLC6A3SLC6A2
SCHEMBL13221434 0.61 MAOB (0.50) MAOBMAOAHSD11B1SLC6A3SLC6A2
Alcohol SCHEMBL28041790 0.61 ACHE (0.53) ACHE
SCHEMBL12457116 0.60 SLC6A3 (0.52) MAOBMAOAHSD11B1SLC6A3SLC6A2
SCHEMBL25502573 0.60 MAOB (0.43) MAOBMAOAHSD11B1SLC6A3SLC6A2
SCHEMBL19262183 0.59 LMNA (0.41) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL19809428 0.59 CHRM2 (0.37)
Ethylamine SCHEMBL27972784 0.59 LOXL2 (0.58) MAOBMAOASLC6A3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354539-B1 Antiinflammatory carbinoloimidazoles DU PONT MERCK PHARMA (US) 1995-04-05 EP disclosed
EP-0354539-A2 Antiinflammatory carbinoloimidazoles THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1990-02-14 EP disclosed
US-4859693-A Antiinflammatory carbinoloimidazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-08-22 US disclosed