SCHEMBL14468892

SCHEMBL14468892

CCOc1cc2c(c(F)c1OCC)/C(=N/Br)N(CC(=O)c1cc(N3CCOCC3)c(OC)c(C(C)(C)C)c1)C2

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2R P25116 12/20 0.82
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 3/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL14468874 0.95 F2R (0.81) F2RALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12167175 0.95 F2R (0.81) F2RALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14469006 0.93 F2R (0.71) F2RSMN1; SMN2MAPTL3MBTL1GAA
SCHEMBL15501075 0.92 F2R (0.70) F2RALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14469086 0.92 F2R (0.69) F2RALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14468966 0.91 F2R (0.69) F2RKDM4EMAPTLMNA
SCHEMBL12167167 0.91 F2R (0.82) F2R
SCHEMBL14468937 0.91 F2R (0.68) F2RALDH1A1KMT2ASMN1; SMN2KDM4E
Atopaxar SCHEMBL30175034 0.90 F2R (1.00) F2RALDH1A1MEN1KMT2ASMN1; SMN2
Atopaxar SCHEMBL1730339 0.90 F2R (1.00) F2RALDH1A1MEN1KMT2ASMN1; SMN2

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
US-8658620-B2 Pharmaceutical composition, use of 2-iminopyrrolidine derivative for production of pharmaceutical composition, and kit for treatment or amelioration of heart diseases EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-02-25 US disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed