SCHEMBL1729083

SCHEMBL1729083

COc1c(N2CCCC2)cc(C(=O)CN2Cc3ccc(C4CC4)nc3C2=N)cc1C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2R P25116 15/20 0.52
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
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 SCHEMBL1729789 0.99 F2R (0.53) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL5670110 0.93 F2R (0.58) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731784 0.93 F2R (0.61) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1730474 0.92 F2R (0.59) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731619 0.92 F2R (0.51) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1732144 0.92 F2R (0.53) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1732240 0.91 F2R (0.51) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1732771 0.90 F2R (0.51) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1732366 0.90 F2R (0.51) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1730131 0.90 F2R (0.56) 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 2 patents. 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
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed