SCHEMBL1731545

SCHEMBL1731545

CCOc1cc2c(cc1C(=O)NC)C(=N)N(CC(=O)c1ccc(OC(C)=O)c(C(C)(C)C)c1)C2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.42
MAPT P10636 4/20 0.37
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
ALDH1A1 P00352 3/20 0.31
LMNA P02545 2/20 0.31
MAPK1 P28482 1/20 0.31
PLK1 P53350 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
CREBBP Q92793 2/20 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 SCHEMBL1730518 0.99 F2R (0.42) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL1732854 0.93 F2R (0.41) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL1732334 0.91 F2R (0.40) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL1730898 0.91 F2R (0.45) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL5481790 0.90 F2R (0.41) F2RMAPTKDM4ERAB9ANPC1
SCHEMBL12151688 0.90 F2R (0.36) F2RMAPTSMN1; SMN2NR1H4ALDH1A1
Bromide SCHEMBL1731270 0.89 F2R (0.42) F2RMAPTKDM4ERAB9ANPC1
SCHEMBL14449148 0.89 F2R (0.40) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL5490703 0.89 F2R (0.43) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL1729696 0.89 F2R (0.41) F2RMAPTKDM4ERAB9ANPC1

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 3 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
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP disclosed