SCHEMBL1729327

SCHEMBL1729327

CCOC(=O)C1CCCN1c1cc(C(=O)CN2Cc3cc(OCC)c(C(=O)NC)cc3C2=N)cc(C(C)(C)C)c1OC

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2R P25116 15/20 0.51
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.31
FKBP1A P62942 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 SCHEMBL5488911 0.99 F2R (0.52) F2RMEN1KMT2AKDM4ENPC1
Bromide SCHEMBL1731721 0.88 F2R (0.52) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731641 0.87 F2R (0.50) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL14449151 0.87 F2R (0.59) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1730396 0.86 F2R (0.60) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1729420 0.85 F2R (0.70) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731526 0.85 F2R (0.61) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL14449120 0.84 F2R (0.53) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1729929 0.84 F2R (0.47) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1728702 0.84 F2R (0.54) 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