SCHEMBL8968393

SCHEMBL8968393

Fc1ccc2c(c1)N=C1CCCCCN1C2

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.70
BCHE P06276 1/20 0.55
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54
CYP3A4 P08684 1/20 0.54
KMT2A Q03164 1/20 0.54
HRH3 Q9Y5N1 1/20 0.44
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL8969705 0.98 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL12059629 0.89 ACHE (0.64) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969488 0.88 ACHE (0.70) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968485 0.87 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL6922811 0.86 ACHE (0.60) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL6921297 0.82 ACHE (0.70) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969327 0.82 ACHE (0.70) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968453 0.82 ACHE (1.00) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969681 0.82 ACHE (0.65) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968773 0.81 ACHE (0.97) ACHEBCHEALDH1A1MEN1USP2

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