SCHEMBL1730786

SCHEMBL1730786

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.61
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 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
Bromide SCHEMBL5482722 0.99 F2R (0.61) F2RHTTLMNAPOLBALOX15
SCHEMBL1730236 0.90 F2R (0.61) F2RHTTLMNAPOLBMAPT
Bromide SCHEMBL5484907 0.89 F2R (0.61) F2RHTTLMNAPOLBMAPT
SCHEMBL1730513 0.89 F2R (0.74) F2RMAPTKDM4ENPC1RAB9A
Bromide SCHEMBL1730070 0.89 F2R (0.60) F2RHTTLMNAMAPTKDM4E
SCHEMBL1729331 0.88 F2R (0.67) F2RMAPTKDM4ENPC1RAB9A
Bromide SCHEMBL1730449 0.88 F2R (0.75) F2RMAPTKDM4ENPC1RAB9A
Bromide SCHEMBL1730669 0.87 F2R (0.59) F2RMAPTKDM4ENPC1RAB9A
SCHEMBL12151716 0.87 F2R (0.66) F2RMAPTKDM4ENPC1RAB9A
Bromide SCHEMBL1728708 0.87 F2R (0.67) F2RMAPTKDM4ENPC1RAB9A

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