SCHEMBL4378286

SCHEMBL4378286

N#CC1CC2CCCCC12

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
EPAS1 Q99814 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
SCHEMBL18408736 0.84
SCHEMBL13588180 0.84
SCHEMBL14098643 0.81 ALDH1A1 (0.39) ALDH1A1
SCHEMBL10816645 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL14346744 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10816644 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL5437124 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2265424 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2262232 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL13741781 0.79 ALDH1A1 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009066041-A2 DERIVATIVES OF 1,2,4,5-TETRAHYDRO-3H-BENZAZEPINES, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2009-05-28 WO disclosed