SCHEMBL8969327

SCHEMBL8969327

Cc1ccc2c(c1)N=C1CCCCCN1C2

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.70
BCHE P06276 2/20 0.55
LMNA P02545 2/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
KMT2A Q03164 1/20 0.54
HRH3 Q9Y5N1 1/20 0.44
APP P05067 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
NPY5R Q15761 1/20 0.35

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
SCHEMBL8969123 0.98 ACHE (0.68) ACHEBCHELMNAMEN1USP2
SCHEMBL8969414 0.94 ACHE (0.62) ACHEBCHELMNAMEN1USP2
SCHEMBL8968424 0.88 ACHE (0.70) ACHEBCHELMNAMEN1USP2
SCHEMBL8969426 0.87 ACHE (0.68) ACHEBCHELMNAMEN1USP2
SCHEMBL6921297 0.82 ACHE (0.70) ACHEBCHELMNAMEN1USP2
SCHEMBL8968453 0.82 ACHE (1.00) ACHEBCHELMNAMEN1USP2
SCHEMBL8968393 0.82 ACHE (0.70) ACHEBCHELMNAMEN1USP2
SCHEMBL8969953 0.82 ACHE (0.62) ACHEBCHELMNAMEN1USP2
SCHEMBL8968388 0.82 ACHE (0.61) ACHEBCHELMNAMEN1USP2
SCHEMBL8969549 0.82 ACHE (0.65) ACHEBCHELMNAMEN1USP2

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