SCHEMBL8969422

SCHEMBL8969422

Cc1cccc2nc3n(c(=N)c12)C1CC2CC(CC3C2)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.34
ELANE P08246 8/20 0.34
ACHE P22303 6/20 0.33
PARP1 P09874 1/20 0.33
BCHE P06276 4/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 0.33
CTRB1 P17538 1/20 0.32
OPRL1 P41146 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31

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
SCHEMBL8969453 0.85 ACHE (0.45) ACHEPARP1BCHEOPRL1OGFRL1
SCHEMBL8968188 0.85 ACHE (0.32) ACHEOPRL1OGFRL1
SCHEMBL8970053 0.85 ACHE (0.38) ACHEPARP1BCHEGRIN1GRIN2A
SCHEMBL8969096 0.82 XPO1 (0.36) HRH4ACHE
SCHEMBL8968721 0.78 KDM4E (0.38) HRH4ELANEPARP1
SCHEMBL8968293 0.77
SCHEMBL8968897 0.75 BCHE (0.31) ACHEBCHE
SCHEMBL8969661 0.73 BCHE (0.34) HRH4ACHEBCHEGRIN1GRIN2A
SCHEMBL8969894 0.73 KDM4E (0.38) HRH4ELANEACHEBCHEGRIN1
SCHEMBL8969011 0.73

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-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed