SCHEMBL1731623

SCHEMBL1731623

COc1cc(C(=O)CN2Cc3cc(COC4CCCCO4)c(C)nc3C2=N)cc(C(C)(C)C)c1O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.37
F2R P25116 11/20 0.36
PTPN1 P18031 1/20 0.33
CYP3A4 P08684 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
Bromide SCHEMBL5484051 0.99 PDE4B (0.36) PDE4BF2RPTPN1CYP3A4
Bromide SCHEMBL1731593 0.93 F2R (0.35) PDE4BF2RCYP3A4
Bromide SCHEMBL1730982 0.85 F2R (0.31) F2R
Bromide SCHEMBL1729445 0.85 F2R (0.36) F2RCYP3A4
Bromide SCHEMBL1731575 0.83 PDE4B (0.35) PDE4BF2R
Bromide SCHEMBL1728992 0.83 F2R (0.39) F2RCYP3A4
Hydrochloric Acid SCHEMBL1730953 0.81 CYP3A4 (0.40) F2RCYP3A4
Bromide SCHEMBL1730847 0.76 F2R (0.41) F2RCYP3A4
Hydrochloric Acid SCHEMBL1729042 0.75 F2R (0.39) F2RCYP3A4
Hydrochloric Acid SCHEMBL1729307 0.75 F2R (0.40) F2RCYP3A4

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
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed