SCHEMBL6951964

SCHEMBL6951964

CC(C)(C)OC(=O)C(C1CCNCC1)N1CCC(c2ccncc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
TP53 P04637 3/20 0.38
KDM4D Q6B0I6 2/20 0.36
ROCK2 O75116 1/20 0.36
PRKG1 Q13976 1/20 0.36
PRCP P42785 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
P2RY14 Q15391 1/20 0.35
AOC3 Q16853 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
NAMPT P43490 2/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL6988541 0.80 SIGMAR1 (0.35) SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL4382303 0.77 HPGD (0.38) SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL1854582 0.72 GPR119 (0.57) LMNAGPR119NAMPT
SCHEMBL6989033 0.69 CACNA2D1 (0.45) GPR119
SCHEMBL6950631 0.69 GPR119 (0.53) LMNAGPR119NAMPT
SCHEMBL27745535 0.68 LMNA (0.48) LMNATP53ROCK2PRKG1PRCP
Tert-Butyl Formate SCHEMBL27745536 0.68 HTR2C (0.44) TP53SLC6A2SLC6A4SLC6A3P2RY14
SCHEMBL6590305 0.68 KCNA3 (0.46) NAMPT
SCHEMBL31566742 0.68 PDE4B (0.58) LMNATP53GPR119NAMPT
SCHEMBL29880481 0.68 PDE4B (0.58) LMNATP53GPR119NAMPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966462-B1 HETEROCYCLIC COMPOUNDS USEFUL AS OXIDO-SQUALENE CYCLASE INHIBITORS ASTRAZENECA AB (SE) 2003-06-11 EP disclosed
US-6391880-B1 ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 2002-05-21 US disclosed
EP-0966462-A1 HETEROCYCLIC COMPOUNDS USEFUL AS OXIDO-SQUALENE CYCLASE INHIBITORS ZENECA LIMITED (GB) 1999-12-29 EP disclosed
WO-1998035959-A1 HETEROCYCLIC COMPOUNDS USEFUL AS OXIDO-SQUALENE CYCLASE INHIBITORS ZENECA LIMITED (GB) 1998-08-20 WO disclosed