SCHEMBL8968486

SCHEMBL8968486

Clc1cc(I)cc2c1CN1CCCCC1=N2

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 17/20 0.60
BCHE P06276 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 1/20 0.34
POLB P06746 1/20 0.30

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
SCHEMBL8968770 0.99 ACHE (0.63) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968511 0.96 ACHE (0.55) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969238 0.85 ACHE (0.49) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969421 0.85 ACHE (0.63) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL29869033 0.84 ACHE (0.66) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969309 0.84 ACHE (0.51) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL4448665 0.84 ACHE (0.66) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968835 0.83 ACHE (0.47) ACHEBCHEALDH1A1MEN1USP2
Hydrochloric Acid SCHEMBL8968390 0.83 ACHE (0.64) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969341 0.83 ACHE (0.60) 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