SCHEMBL7350602

SCHEMBL7350602

[CH2]c1cccc2c1ncn2C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PIM1 P11309 1/20 0.36
MARK3 P27448 1/20 0.36
MAP4K2 Q12851 1/20 0.36
CAMK2B Q13554 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NR1H2 P55055 2/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
POLB P06746 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
BUB1 O43683 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
SCHEMBL1161439 0.84 L3MBTL1 (0.41) BCHEL3MBTL1PIM1MARK3MAP4K2
SCHEMBL28619984 0.84 BCHE (0.39) BCHEL3MBTL1PIM1MARK3MAP4K2
SCHEMBL2858266 0.83 HSP90AA1 (0.40) BCHEL3MBTL1PIM1MARK3MAP4K2
SCHEMBL15392448 0.83 BCHE (0.38) BCHEL3MBTL1PIM1MARK3MAP4K2
SCHEMBL9982679 0.81 L3MBTL1 (0.44) BCHEL3MBTL1PIM1MARK3MAP4K2
SCHEMBL1162095 0.80 L3MBTL1 (0.41) BCHEL3MBTL1PIM1MARK3MAP4K2
SCHEMBL7346863 0.80 PIM1 (0.37) BCHEL3MBTL1PIM1MARK3MAP4K2
SCHEMBL6191341 0.79 L3MBTL1 (0.40) BCHEL3MBTL1PIM1MARK3MAP4K2
SCHEMBL7343807 0.79 L3MBTL1 (0.36) BCHEL3MBTL1PIM1MARK3MAP4K2
SCHEMBL2860553 0.79 MET (0.40) BCHEL3MBTL1KDM4EALDH1A1MEN1

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-5436240-A Schizophrenia, Parkinson's disease, depression or hypotensive agents using tricyclic amines THE UPJOHN COMPANY (US) 1995-07-25 US disclosed
WO-1990015058-A1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1990-12-13 WO disclosed