SCHEMBL1731740

SCHEMBL1731740

COc1c(OC(C)C)cc(C(=O)CN2Cc3ccc(C4CC4)nc3C2=N)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2R P25116 17/20 0.42
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
PDE4B Q07343 1/20 0.32
CYP3A4 P08684 1/20 0.32

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 SCHEMBL1732426 0.99 F2R (0.43) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1730770 0.89 F2R (0.54) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL5487328 0.88 F2R (0.43) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1729940 0.87 F2R (0.45) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731808 0.86 F2R (0.44) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1732103 0.86 F2R (0.45) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1732156 0.85 F2R (0.43) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1729916 0.85 F2R (0.44) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731020 0.84 F2R (0.41) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL1729083 0.84 F2R (0.52) F2RKDM4ENPC1MAPTRAB9A

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