SCHEMBL8968703

SCHEMBL8968703

CSc1ccc2c(c1)CN1CCCCCC1=N2

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.65
BCHE P06276 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
KMT2A Q03164 1/20 0.50
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL8968508 0.99 ACHE (0.63) ACHEBCHEHRH3MEN1USP2
SCHEMBL8969549 0.89 ACHE (0.65) ACHEBCHEHRH3MEN1USP2
SCHEMBL8969691 0.88 ACHE (0.63) ACHEBCHEHRH3MEN1USP2
SCHEMBL8968424 0.82 ACHE (0.70) ACHEBCHEHRH3MEN1USP2
SCHEMBL8969426 0.80 ACHE (0.68) ACHEBCHEHRH3MEN1USP2
SCHEMBL8969810 0.80 ACHE (0.67) ACHEBCHEHRH3MEN1USP2
SCHEMBL8969488 0.79 ACHE (0.70) ACHEBCHEHRH3MEN1USP2
SCHEMBL8969212 0.79 ACHE (0.70) ACHEBCHEHRH3MEN1USP2
SCHEMBL8968422 0.79 ACHE (1.00) ACHEBCHEHRH3MEN1USP2
SCHEMBL8969188 0.78 ACHE (0.64) ACHEBCHEHRH3MEN1USP2

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 3 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
EP-0597956-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-05-25 EP disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed