SCHEMBL8969100

SCHEMBL8969100

Cc1cc(C)c2c(c1)CN1CCCCCC1=N2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.51
BCHE P06276 2/20 0.41
USP2 O75604 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 1/20 0.37
INMT O95050 1/20 0.34
APP P05067 1/20 0.34
CRHR1 P34998 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL8970068 0.98 ACHE (0.49) ACHEBCHEUSP2ALDH1A1MEN1
SCHEMBL8969785 0.86 ACHE (0.63) ACHEBCHEUSP2ALDH1A1MEN1
SCHEMBL8969418 0.84 ACHE (0.60) ACHEBCHEUSP2ALDH1A1MEN1
SCHEMBL8969359 0.79 ACHE (0.70) ACHEBCHEUSP2ALDH1A1MEN1
SCHEMBL8969542 0.79 ACHE (0.54) ACHEBCHEUSP2ALDH1A1MEN1
SCHEMBL8969768 0.79 ACHE (0.54) ACHEBCHEUSP2ALDH1A1MEN1
SCHEMBL8968530 0.78 ACHE (0.68) ACHEBCHEUSP2ALDH1A1MEN1
SCHEMBL8969281 0.77 ACHE (0.52) ACHEBCHEUSP2ALDH1A1MEN1
SCHEMBL8969868 0.77 ACHE (0.59) ACHEBCHEUSP2ALDH1A1MEN1
SCHEMBL8969036 0.77 ACHE (0.51) 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