SCHEMBL8969211

SCHEMBL8969211

c1ccc(C2CC3=Nc4ccccc4CN3C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.49
BCHE P06276 3/20 0.49
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
KMT2A Q03164 1/20 0.48
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
CTSD P07339 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
BRD4 O60885 3/20 0.37
GRIN2B Q13224 2/20 0.36

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
SCHEMBL8970485 0.84 ACHE (0.49) ACHEBCHEMEN1ALDH1A1KMT2A
SCHEMBL9381911 0.81 ACHE (0.51) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969199 0.74 SPR (0.37) ACHEMEN1LMNAKMT2AADRA1D
SCHEMBL3387188 0.66 ACHE (1.00) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL29416837 0.66 ACHE (1.00) ACHEBCHEMEN1USP2ALDH1A1
Hydrochloric Acid SCHEMBL30600296 0.65 MEN1 (1.00) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968969 0.64 ACHE (0.49) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL9540233 0.64 ACHE (1.00) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL28663408 0.64 MAPT (0.51) ACHEBCHEMEN1ALDH1A1LMNA
SCHEMBL8969927 0.62 ACHE (0.54) ACHEBCHEMEN1USP2ALDH1A1

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