SCHEMBL8970068

SCHEMBL8970068

Cc1cc(C)c2c(c1)CN1CCCCC1=N2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.49
BCHE P06276 2/20 0.42
ALDH1A1 P00352 2/20 0.41
USP2 O75604 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH3 Q9Y5N1 2/20 0.35
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
APP P05067 1/20 0.32
INMT O95050 1/20 0.32

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
SCHEMBL8969100 0.98 ACHE (0.51) ACHEBCHEALDH1A1USP2MEN1
SCHEMBL8969418 0.85 ACHE (0.60) ACHEBCHEALDH1A1USP2MEN1
SCHEMBL8969785 0.84 ACHE (0.63) ACHEBCHEALDH1A1USP2MEN1
SCHEMBL8968530 0.79 ACHE (0.68) ACHEBCHEALDH1A1USP2MEN1
SCHEMBL8969281 0.78 ACHE (0.52) ACHEBCHEALDH1A1USP2MEN1
SCHEMBL8969359 0.78 ACHE (0.70) ACHEBCHEALDH1A1USP2MEN1
SCHEMBL8969542 0.77 ACHE (0.54) ACHEBCHEALDH1A1USP2MEN1
SCHEMBL8969768 0.77 ACHE (0.54) ACHEBCHEALDH1A1USP2MEN1
SCHEMBL8968742 0.76 ACHE (0.56) ACHEBCHEALDH1A1USP2MEN1
SCHEMBL8969426 0.76 ACHE (0.68) ACHEBCHEALDH1A1USP2MEN1

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