SCHEMBL8969272

SCHEMBL8969272

CC1(C)c2ccc(Cl)cc2N=C2CCCCCN21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.54
HSD11B1 P28845 1/20 0.38
HSD11B2 P80365 1/20 0.38
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 2/20 0.34
SLC6A3 Q01959 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
SCHEMBL8969229 0.78 ACHE (0.42) ACHEHSD11B1HSD11B2HTTALDH1A1
SCHEMBL8968337 0.74 ACHE (0.56) ACHEHTTALDH1A1
SCHEMBL8968620 0.72 KLK7 (0.37) ACHE
SCHEMBL8969296 0.71 ACHE (0.35) ACHESLC6A3
SCHEMBL8968453 0.70 ACHE (1.00) ACHEALDH1A1
SCHEMBL8968773 0.69 ACHE (0.97) ACHEALDH1A1
SCHEMBL8970444 0.68 ACHE (0.70) ACHEHTTKDM4EALDH1A1HPGD
SCHEMBL9382150 0.68 ACHE (0.51) ACHE
SCHEMBL8969833 0.66 ACHE (1.00) ACHEHTTKDM4EALDH1A1
SCHEMBL24330116 0.65 ACHE (0.67) ACHEHTTKDM4EALDH1A1HPGD

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