SCHEMBL8968437

SCHEMBL8968437

FC(F)(F)c1cccc2c1CN1CCCCCC1=N2

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.65
BCHE P06276 1/20 0.48
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 1/20 0.47
CCR3 P51677 1/20 0.36
NPY5R Q15761 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL8969106 0.99 ACHE (0.63) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968436 0.82 ACHE (0.70) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL9385652 0.81 ACHE (0.61) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968520 0.80 ACHE (0.68) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968466 0.79 ACHE (1.00) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8970192 0.79 ACHE (0.70) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968700 0.79 ACHE (0.70) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969793 0.78 ACHE (0.65) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968767 0.77 ACHE (0.68) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969241 0.77 ACHE (0.97) ACHEBCHEMEN1USP2ALDH1A1

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