SCHEMBL6633708

SCHEMBL6633708

CC(C)c1ccc(N=C2NCCN2)c(Br)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.31
TRPA1 O75762 1/20 0.30
PTGS1 P23219 1/20 0.30
CACNA1C Q13936 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
SCHEMBL11373470 0.78 AHR (0.35)
SCHEMBL11375823 0.75 AHR (0.32)
SCHEMBL11356374 0.70 UGT2B7 (0.35)
SCHEMBL1021207 0.68 LMNA (0.33) NPC1GAARAB9ALMNATRPA1
Hydrochloric Acid SCHEMBL7685252 0.67 ALDH1A1 (0.44) NPC1GAARAB9ATRPA1PTGS1
SCHEMBL6895537 0.66 LMNA (0.44) NPC1GAARAB9ALMNATRPA1
SCHEMBL29661836 0.66 LMNA (0.44) NPC1GAARAB9ALMNATRPA1
Bromide SCHEMBL11354140 0.66
SCHEMBL11372940 0.65 HTT (0.33)
SCHEMBL4716982 0.64 PARP10 (0.35)

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-1359916-A4 IMIDAZOLYL DERIVATIVES AS CORTICOTROPIN RELEASING FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2004-04-07 EP disclosed
EP-1359916-A1 IMIDAZOLYL DERIVATIVES AS CORTICOTROPIN RELEASING FACTOR INHIBITORS Bristol-Myers Squibb Company (US) 2003-11-12 EP disclosed
WO-2002058704-A1 IMIDAZOLYL DERIVATIVES AS CORTICOTROPIN RELEASING FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 WO disclosed