SCHEMBL8969971

SCHEMBL8969971

Fc1cc(Cl)c2c(c1)N=C1CCCCCN1C2

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 17/20 0.63
BCHE P06276 1/20 0.39
USP2 O75604 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
INMT O95050 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL8969341 0.99 ACHE (0.60) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8968740 0.94 ACHE (0.55) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL29869033 0.86 ACHE (0.66) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL4448665 0.86 ACHE (0.66) ACHEBCHEUSP2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL8968390 0.84 ACHE (0.64) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969421 0.84 ACHE (0.63) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8968967 0.83 ACHE (0.49) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969382 0.83 ACHE (0.63) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8968320 0.83 ACHE (0.63) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969491 0.83 ACHE (0.49) ACHEBCHEUSP2MEN1ALDH1A1

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
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO claimed
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