SCHEMBL8968928

SCHEMBL8968928

FC(F)(F)Oc1cc(Cl)c2c(c1)N=C1CCCCCN1C2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.55
HRH3 Q9Y5N1 1/20 0.36
BCHE P06276 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.34
GALR2 O43603 1/20 0.32
GALR1 P47211 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL8969324 0.86 ACHE (0.43) ACHEHRH3BCHEMEN1USP2
SCHEMBL8969937 0.81 ACHE (0.52) ACHEHRH3BCHEMEN1USP2
SCHEMBL8969971 0.80 ACHE (0.63) ACHEHRH3BCHEMEN1USP2
SCHEMBL29869033 0.79 ACHE (0.66) ACHEHRH3BCHEMEN1USP2
SCHEMBL4448665 0.79 ACHE (0.66) ACHEHRH3BCHEMEN1USP2
Hydrochloric Acid SCHEMBL8968390 0.78 ACHE (0.64) ACHEHRH3BCHEMEN1USP2
SCHEMBL8969341 0.78 ACHE (0.60) ACHEHRH3BCHEMEN1USP2
SCHEMBL8969421 0.78 ACHE (0.63) ACHEHRH3BCHEMEN1USP2
SCHEMBL8969382 0.77 ACHE (0.63) ACHEHRH3BCHEMEN1USP2
SCHEMBL8968320 0.77 ACHE (0.63) ACHEHRH3BCHEMEN1USP2

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