SCHEMBL959

SCHEMBL959

CCCCc1ncc(CO)n1-c1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.38
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
MLYCD O95822 1/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
AGTR1 P30556 1/20 0.35
COMT P21964 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 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
SCHEMBL4987715 0.80 MLYCD (0.62) MLYCD
SCHEMBL559 0.73 AGTR1 (0.43) AGTR1
SCHEMBL9454019 0.73 TLR8 (0.46) AGTR1
SCHEMBL27553901 0.72 ALDH1A1 (0.39) TLR7AGTR1MEN1ALDH1A1RAB9A
SCHEMBL8971003 0.71 AGTR1 (0.41) AGTR1
SCHEMBL4957996 0.65 LMNA (0.46) TLR7LMNAMAPK1PI4KAPI4K2B
Hydrochloric Acid SCHEMBL28340422 0.65 AGTR1 (0.43) TLR7AGTR1
SCHEMBL7320805 0.65 MAPK1 (0.38) TLR7LMNAMAPK1PI4KAPI4K2B
SCHEMBL4958024 0.64 PDE4A (0.57) LMNAMAPK1PI4KAPI4K2BPI4K2A
SCHEMBL28334546 0.63 TLR7 (0.38) TLR7AGTR1ALDH1A1SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733366-B1 Pharmaceutical compositions comprising angiotensin II receptor blocking imidazoles and diuretics DU PONT (US) 1998-04-01 EP disclosed
EP-0324377-B1 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids DU PONT (US) 1997-04-16 EP disclosed
EP-0733366-A2 Pharmaceutical compositions comprising angiotensin II receptor blocking imidazoles and diuretics E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-25 EP disclosed
US-5155118-A Administering angiotensin inhibitor E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-13 US disclosed
US-5153197-A Treatment of hypertension with angiotensin II blocking imidazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-06 US disclosed
US-5138069-A Treating hypertension and congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-11 US disclosed
US-5128355-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-07 US disclosed
WO-1989006233-A1 ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLES AND COMBINATIONS THEREOF WITH DIURETICS AND NSAIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-13 WO disclosed