SCHEMBL8969491

SCHEMBL8969491

Fc1cc(I)c2c(c1)N=C1CCCCCN1C2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.49
BCHE P06276 1/20 0.39
USP2 O75604 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
INMT O95050 1/20 0.33
NPY5R Q15761 1/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8968936 0.99 ACHE (0.47) ACHEBCHEUSP2ALDH1A1MEN1
SCHEMBL8968621 0.94 ACHE (0.44) ACHEBCHEUSP2ALDH1A1MEN1
SCHEMBL8969309 0.86 ACHE (0.51) ACHEBCHEUSP2ALDH1A1MEN1
SCHEMBL8969238 0.84 ACHE (0.49) ACHEBCHEUSP2ALDH1A1MEN1
SCHEMBL8969695 0.83 ACHE (0.59) ACHEBCHEUSP2ALDH1A1MEN1
SCHEMBL8968601 0.83 ACHE (0.49) ACHEBCHEUSP2ALDH1A1MEN1
SCHEMBL8969971 0.83 ACHE (0.63) ACHEBCHEUSP2ALDH1A1MEN1
SCHEMBL8968967 0.83 ACHE (0.49) ACHEBCHEUSP2ALDH1A1MEN1
SCHEMBL8968408 0.82 ACHE (0.47) ACHEBCHEUSP2ALDH1A1MEN1
SCHEMBL8969205 0.82 ACHE (0.47) ACHEBCHEUSP2ALDH1A1MEN1

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