SCHEMBL8968427

SCHEMBL8968427

Brc1ccc2c(c1)CN1CCCCC1=N2

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.68
BCHE P06276 1/20 0.56
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.55
USP2 O75604 1/20 0.55
LMNA P02545 1/20 0.55
CYP3A4 P08684 1/20 0.55
KMT2A Q03164 1/20 0.55
HRH3 Q9Y5N1 1/20 0.51
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL8969212 0.98 ACHE (0.70) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968413 0.88 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL6921297 0.87 ACHE (0.70) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968485 0.82 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969321 0.82 ACHE (0.97) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969426 0.82 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968422 0.81 ACHE (1.00) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969488 0.81 ACHE (0.70) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968424 0.81 ACHE (0.70) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969188 0.79 ACHE (0.64) 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 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