SCHEMBL1729232

SCHEMBL1729232

COC(C)c1cc2c(nc1C)C(=N)N(CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2R P25116 15/20 0.37
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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 SCHEMBL5490705 0.99 F2R (0.38) F2RCYP3A4KDM4ENPC1MAPT
SCHEMBL1729142 0.83 F2R (0.46) F2RCYP3A4MEN1KMT2A
Hydrochloric Acid SCHEMBL1730953 0.83 CYP3A4 (0.40) F2RCYP3A4MEN1KMT2A
Hydrochloric Acid SCHEMBL5488845 0.83 F2R (0.47) F2RCYP3A4MEN1KMT2A
Hydrochloric Acid SCHEMBL1729042 0.81 F2R (0.39) F2RCYP3A4KDM4EMAPTRAB9A
Hydrochloric Acid SCHEMBL1729307 0.80 F2R (0.40) F2RCYP3A4KDM4EMAPTRAB9A
SCHEMBL14449067 0.79 F2R (0.45) F2RCYP3A4KDM4ENPC1MAPT
Bromide SCHEMBL1729417 0.78 F2R (0.38) F2RCYP3A4KDM4EMAPTRAB9A
Bromide SCHEMBL1728992 0.78 F2R (0.39) F2RCYP3A4KDM4ENPC1MAPT
Bromide SCHEMBL1731414 0.78 F2R (0.42) F2RCYP3A4MEN1KMT2A

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