SCHEMBL1730101

SCHEMBL1730101

COc1cc2c(c(F)c1OC)C(=N)N(CC(=O)c1cc3c(c(C(C)(C)C)c1)OCCN3C(C)(C)C(=O)O)C2

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.59
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 2/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
CPT2 P23786 1/20 0.30
CPT1A P50416 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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 SCHEMBL5485314 0.99 F2R (0.60) F2RALDH1A1GAAMAPTMEN1
SCHEMBL1729218 0.91 F2R (0.62) F2RALDH1A1GAAMAPTMEN1
Bromide SCHEMBL6362177 0.90 F2R (0.61) F2RALDH1A1GAAMAPTMEN1
Hydrochloric Acid SCHEMBL5481846 0.90 F2R (0.62) F2RALDH1A1GAAMAPTMEN1
Trifluoroacetic Acid SCHEMBL1730956 0.90 F2R (0.58) F2RALDH1A1GAACPT2CPT1A
Bromide SCHEMBL1729699 0.89 F2R (0.68) F2R
Bromide SCHEMBL5484137 0.88 F2R (0.59) F2RALDH1A1GAAMAPTKDM4E
SCHEMBL1730511 0.88 F2R (0.62) F2RALDH1A1GAAMAPTMEN1
Trifluoroacetic Acid SCHEMBL1729241 0.88 F2R (0.58) F2RALDH1A1GAACPT2CPT1A
Bromide SCHEMBL1732085 0.87 F2R (0.60) F2RALDH1A1GAAMAPTCPT2

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