SCHEMBL8968906

SCHEMBL8968906

FC(F)(F)c1cccc2c1N=C1CCCCN1C2

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.63
BCHE P06276 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
KMT2A Q03164 1/20 0.48
CCR3 P51677 1/20 0.39
CNR2 P34972 2/20 0.35
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPY5R Q15761 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL8969793 0.99 ACHE (0.65) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968461 0.81 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968954 0.80 ACHE (0.70) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968530 0.78 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968909 0.78 ACHE (0.97) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968761 0.78 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969106 0.78 ACHE (0.63) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968420 0.77 ACHE (0.70) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969094 0.77 ACHE (1.00) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969359 0.77 ACHE (0.70) 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