SCHEMBL9385652

SCHEMBL9385652

FC(F)(F)Oc1cccc2c1CN1CCCCCC1=N2

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.61
BCHE P06276 1/20 0.45
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 1/20 0.44
CCR3 P51677 1/20 0.39
S1PR1 P21453 2/20 0.38
HRH3 Q9Y5N1 1/20 0.35
GALR2 O43603 1/20 0.35
GALR1 P47211 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
SCHEMBL8968550 0.83 ACHE (0.46) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969574 0.82 ACHE (0.63) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968437 0.81 ACHE (0.65) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969937 0.81 ACHE (0.52) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969106 0.79 ACHE (0.63) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968700 0.79 ACHE (0.70) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968436 0.79 ACHE (0.70) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968767 0.77 ACHE (0.68) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968520 0.77 ACHE (0.68) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8970192 0.76 ACHE (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0597956-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-05-25 EP disclosed