SCHEMBL5484652

SCHEMBL5484652

O=C(OCC1CC1)N1C=CC=CC=N1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.30
TPSAB1 Q15661 1/20 0.30
TPSD1 Q9BZJ3 1/20 0.30
TPSG1 Q9NRR2 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
Hydrochloric Acid SCHEMBL4427667 0.98
Hydrochloric Acid SCHEMBL4427664 0.75 PRSS1 (0.33) PRSS1TPSAB1TPSD1TPSG1
SCHEMBL4075430 0.73 HTT (0.39)
Hydrochloric Acid SCHEMBL4077837 0.68
SCHEMBL4427672 0.68
SCHEMBL6027142 0.68
SCHEMBL27457961 0.67 FAAH (0.34)
SCHEMBL1117822 0.66
Water SCHEMBL8221742 0.64
SCHEMBL2801118 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007507447-A 2007-03-29 JP claimed
EP-1673347-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. Hoffman-la Roche AG (CH) 2006-06-28 EP claimed
WO-2005040126-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2005-05-06 WO claimed
EP-1711470-A1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVTIY OF GAMMA-SECRETASE F. HOFFMANN-LA ROCHE AG (CH) 2006-10-18 EP disclosed
EP-1673347-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. Hoffman-la Roche AG (CH) 2006-06-28 EP disclosed
WO-2005040126-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
WO-2005023772-A1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVITY OF GAMA-SECRETASE F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed