SCHEMBL8969571

SCHEMBL8969571

Cc1ccc2c(c1C)CN1CCCCCC1=N2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.58
BCHE P06276 2/20 0.44
ALDH1A1 P00352 2/20 0.43
USP2 O75604 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 1/20 0.39
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL8969782 0.98 ACHE (0.56) ACHEBCHEALDH1A1USP2MEN1
SCHEMBL8969381 0.86 ACHE (0.67) ACHEBCHEALDH1A1USP2MEN1
SCHEMBL8968764 0.86 ACHE (0.63) ACHEBCHEALDH1A1USP2MEN1
SCHEMBL8969751 0.84 ACHE (0.64) ACHEBCHEALDH1A1USP2MEN1
SCHEMBL8968961 0.84 ACHE (0.60) ACHEBCHEALDH1A1USP2MEN1
SCHEMBL8970192 0.82 ACHE (0.70) ACHEBCHEALDH1A1USP2MEN1
SCHEMBL31197078 0.81 ACHE (0.68) ACHEBCHEALDH1A1USP2MEN1
SCHEMBL8968183 0.81 ACHE (0.68) ACHEBCHEALDH1A1USP2MEN1
SCHEMBL8969004 0.79 ACHE (0.54) ACHEBCHEALDH1A1USP2MEN1
SCHEMBL8970150 0.79 ACHE (0.50) 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 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