SCHEMBL8969927

SCHEMBL8969927

c1ccc(C2(c3ccccc3)CCC3=Nc4ccccc4CN3C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.54
BCHE P06276 4/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
SIGMAR1 Q99720 1/20 0.38
DRD4 P21917 1/20 0.37
OPRM1 P35372 1/20 0.37
CYP2C9 P11712 1/20 0.37
CCR3 P51677 5/20 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
SCHEMBL8969749 0.87 ACHE (0.60) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8968969 0.85 ACHE (0.49) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8968349 0.84 ACHE (0.53) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8968484 0.80 ACHE (0.54) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8969632 0.78 ACHE (0.40) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8968412 0.76 ACHE (0.46) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8969701 0.73 ACHE (0.58) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL3387188 0.70 ACHE (1.00) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL29416837 0.70 ACHE (1.00) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL9540336 0.70 DRD4 (0.31) MEN1KMT2ADRD4OPRM1CYP2C9

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