SCHEMBL8968698

SCHEMBL8968698

Clc1cc(Cl)c2c(c1)N=C1CCSCCN1C2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.43
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KLK7 P49862 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
BCHE P06276 1/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8969433 0.87 ACHE (0.38) ACHEPOLBL3MBTL1
SCHEMBL8968233 0.82 ACHE (0.57) ACHEL3MBTL1KLK7DRD2DRD4
SCHEMBL8969421 0.81 ACHE (0.63) ACHEL3MBTL1KLK7BCHEMEN1
Hydrochloric Acid SCHEMBL8969536 0.81 ACHE (0.56) ACHEKLK7DRD2DRD4DRD3
SCHEMBL29869033 0.80 ACHE (0.66) ACHEL3MBTL1KLK7BCHEMEN1
SCHEMBL4448665 0.80 ACHE (0.66) ACHEL3MBTL1KLK7BCHEMEN1
Hydrochloric Acid SCHEMBL8968390 0.79 ACHE (0.64) ACHEL3MBTL1KLK7BCHEMEN1
SCHEMBL8969066 0.78 ACHE (0.67) ACHEDRD2DRD4DRD3BCHE
SCHEMBL8969485 0.78 ACHE (0.43) ACHEKLK7DRD2DRD4DRD3
SCHEMBL8969455 0.78 ACHE (0.43) ACHEDRD2DRD4DRD3MEN1

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