SCHEMBL1731637

SCHEMBL1731637

CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(NCCN3CCOCC3)c(OC)c(C(C)(C)C)c1)C2

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.74
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.33

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 SCHEMBL5494483 0.99 F2R (0.74) F2RTSHRMEN1KMT2AALDH1A1
SCHEMBL1732099 0.89 F2R (0.68) F2RKDM4E
Bromide SCHEMBL1731695 0.89 F2R (0.74) F2R
Bromide SCHEMBL1731103 0.88 F2R (0.69) F2RKDM4E
Hydrochloric Acid SCHEMBL1730394 0.88 F2R (0.69) F2RKDM4E
Bromide SCHEMBL1729471 0.87 F2R (0.68) F2RMEN1KMT2AKDM4E
Bromide SCHEMBL1731542 0.87 F2R (0.71) F2RKDM4E
SCHEMBL1733277 0.87 F2R (0.68) F2R
Hydrochloric Acid SCHEMBL1730054 0.87 F2R (0.67) F2R
Bromide SCHEMBL1732203 0.87 F2R (0.67) F2RKDM4E

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