SCHEMBL7898501

SCHEMBL7898501

COCCCN1c2c(cnc(OC)c2Br)CC1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
PIK3CD O00329 5/20 0.35
CYP2C9 P11712 1/20 0.34
NSD2 O96028 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
HPGDS O60760 1/20 0.34
SCN9A Q15858 1/20 0.34
KAT7 O95251 1/20 0.34
KAT6A Q92794 1/20 0.34
BACE1 P56817 2/20 0.33
CTSD P07339 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
FPR2 P25090 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
SCHEMBL7905938 0.79 ALOX5AP (0.37) ALOX5APFEN1CYP2C9GPR119HPGDS
SCHEMBL7893412 0.78 ALOX5AP (0.39) ALOX5APFEN1GPR119SCN9A
SCHEMBL2789050 0.76 PIK3CD (0.39) ALOX5APFEN1PIK3CDCYP2C9NSD2
SCHEMBL2789048 0.76 PIK3CD (0.39) ALOX5APFEN1PIK3CDCYP2C9NSD2
SCHEMBL7902460 0.76 MEN1 (0.40) ALOX5APFEN1GPR119SCN9AKAT7
SCHEMBL7897488 0.75 USP30 (0.42) SCN9AMEN1ALDH1A1MAPTKMT2A
SCHEMBL7898507 0.74 KAT7 (0.39) ALOX5APFEN1CYP2C9GPR119SCN9A
SCHEMBL7899660 0.74 USP30 (0.41) ALOX5APFEN1GPR119SCN9AKAT7
SCHEMBL7898814 0.72 HTR6 (0.39) ALOX5APFEN1GPR119SCN9AKAT7
SCHEMBL7896607 0.72 HTR6 (0.41) MEN1ALDH1A1MAPTKMT2A

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
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed