SCHEMBL7345451

SCHEMBL7345451

COc1ccc2c(ncn2C(=O)OC(C)(C)C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.38
SRC P12931 1/20 0.36
BRD4 O60885 2/20 0.36
PDE4B Q07343 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CFTR P13569 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
BCHE P06276 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTR6 P50406 1/20 0.33
SMPD3 Q9NY59 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GABRG2 P18507 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
SCHEMBL6142331 0.82 HSP90AA1 (0.37) SRCKMT2AMEN1L3MBTL1BCHE
SCHEMBL7350189 0.82 SRC (0.34) STSSRCBRD4PDE4BKMT2A
SCHEMBL6142633 0.78 ALDH1A1 (0.38) BRD4KMT2AMEN1L3MBTL1TSHR
SCHEMBL3902857 0.77 L3MBTL1 (0.40) STSSRCBRD4PDE4BCFTR
SCHEMBL1161439 0.76 L3MBTL1 (0.41) KMT2AMEN1L3MBTL1BCHEALDH1A1
SCHEMBL8926983 0.76 GABRG2 (0.33) L3MBTL1BCHEHTR6GABRG2GABRB3
SCHEMBL5414470 0.75 HSP90AA1 (0.38) STSSRCKMT2AMEN1L3MBTL1
SCHEMBL7410213 0.74 GPR119 (0.37) BRD4PDE4BCFTRL3MBTL1SMPD3
SCHEMBL28619984 0.73 BCHE (0.39) L3MBTL1BCHEALDH1A1HTR6GPR119
SCHEMBL8926939 0.73 SCN9A (0.34) KMT2AMEN1BCHETSHRGPR119

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 5 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
EP-0480939-B1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY UPJOHN CO (US) 1995-01-25 EP disclosed
US-5273975-A Heterocyclic amines having central nervous system activity THE UPJOHN COMPANY (US) 1993-12-28 US disclosed
WO-1992022313-A1 RENIN INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1992-12-23 WO disclosed
WO-1990015058-A1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1990-12-13 WO disclosed