SCHEMBL9380915

SCHEMBL9380915

ClCc1ccc2c(c1)N=C1CCCCCN1C2

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.71
BCHE P06276 1/20 0.52
USP2 O75604 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
KMT2A Q03164 1/20 0.51
HRH3 Q9Y5N1 1/20 0.46
INMT O95050 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 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
SCHEMBL8968453 0.83 ACHE (1.00) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8968773 0.81 ACHE (0.97) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8968393 0.80 ACHE (0.70) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL6921297 0.80 ACHE (0.70) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969327 0.80 ACHE (0.70) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969123 0.78 ACHE (0.68) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969705 0.78 ACHE (0.68) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8968413 0.78 ACHE (0.68) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969549 0.77 ACHE (0.65) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969681 0.77 ACHE (0.65) ACHEBCHEUSP2MEN1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0597956-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-05-25 EP disclosed