SCHEMBL8969431

SCHEMBL8969431

FC(F)(F)c1ccc2c(c1)N=C1CCCCN1C2

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.63
BCHE P06276 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
CTSD P07339 5/20 0.43
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL8969681 0.99 ACHE (0.65) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8969370 0.89 ACHE (0.63) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8969483 0.88 ACHE (0.65) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8969705 0.81 ACHE (0.68) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8968393 0.80 ACHE (0.70) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8968773 0.78 ACHE (0.97) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8968413 0.78 ACHE (0.68) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8969123 0.78 ACHE (0.68) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8969327 0.77 ACHE (0.70) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL6921297 0.77 ACHE (0.70) ACHEBCHEMEN1KMT2AUSP2

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