SCHEMBL9540235

SCHEMBL9540235

c1ccc2c(c1)CN1C(=N2)C2CC3CC(C2)CC1C3

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSD P07339 5/20 0.47
ACHE P22303 6/20 0.42
BCHE P06276 3/20 0.42
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
CCR3 P51677 1/20 0.32
CYP2D6 P10635 1/20 0.32
RECQL P46063 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
SCHEMBL8968314 0.81 PDE3B (0.40) CTSDACHEPDE3BPDE3A
SCHEMBL8969466 0.81 CTSD (0.49) CTSDACHE
SCHEMBL8969760 0.80 CTSD (0.34) CTSD
SCHEMBL8969704 0.80 HTR2C (0.36) CTSD
SCHEMBL8969577 0.80 CTSD (0.34) CTSD
SCHEMBL8968336 0.80
SCHEMBL8968791 0.80 HTR2A (0.34) PDE3BPDE3A
SCHEMBL8969095 0.77 HTR2C (0.36) MEN1KMT2A
SCHEMBL8968432 0.77 CTSD (0.48) CTSDACHEBCHELMNACYP3A4
SCHEMBL8969189 0.77 ACHE (0.39) CTSDACHE

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
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed