SCHEMBL14469005

SCHEMBL14469005

CCOc1cc2c(nc1C(=O)NC)/C(=N/C(=O)C(F)(F)F)N(CC(=O)c1cc(OCC)c(OC)c(C(C)(C)C)c1)C2

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2R P25116 17/20 0.44
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 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
SCHEMBL14449123 1.00 F2R (0.44) F2RLMNACYP3A4ALDH1A1GAA
SCHEMBL14469095 0.95 F2R (0.40) F2RLMNA
SCHEMBL14449164 0.95 F2R (0.40) F2RLMNA
SCHEMBL14469068 0.91 F2R (0.40) F2R
SCHEMBL14449173 0.91 F2R (0.40) F2R
SCHEMBL14449178 0.89 F2R (0.39) F2R
SCHEMBL14469076 0.89 F2R (0.57) F2R
SCHEMBL14449175 0.89 F2R (0.57) F2R
Trifluoroacetic Acid SCHEMBL1729328 0.86 F2R (0.51) F2RLMNA
Bromide SCHEMBL1730631 0.86 F2R (0.52) F2RLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed