SCHEMBL13637742

SCHEMBL13637742

CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(N3CCN(CC=O)CC3)c(OC)c(C(C)(C)C)c1)C2

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2R P25116 17/20 0.83
GAA P10253 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL13628887 0.93 F2R (0.88) F2RGAAALDH1A1
SCHEMBL1730720 0.91 F2R (0.99) F2RGAAALDH1A1
Hydrochloric Acid SCHEMBL1728724 0.91 F2R (1.00) F2RGAAALDH1A1
SCHEMBL13950221 0.91 F2R (0.85) F2R
SCHEMBL14449152 0.91 F2R (0.87) F2RGAA
SCHEMBL3979688 0.90 F2R (0.99) F2RGAAALDH1A1
SCHEMBL13038490 0.90 F2R (0.85) F2RGAAALDH1A1
SCHEMBL9989475 0.90 F2R (0.85) F2RGAAALDH1A1
Bromide SCHEMBL1730235 0.90 F2R (0.87) F2RGAA
SCHEMBL13144389 0.90 F2R (0.86) F2RGAA

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
US-7612066-B2 Composition containing benzamidine derivative and method for stabilizing benzamidine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed