SCHEMBL8969778

SCHEMBL8969778

COc1ccc2c(c1)N=C1CCCCN1C2

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.63
BCHE P06276 1/20 0.52
MEN1 O00255 1/20 0.51
USP2 O75604 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 0.48
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.39

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
SCHEMBL8968730 0.89 ACHE (0.63) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969123 0.81 ACHE (0.68) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969588 0.80 ACHE (0.55) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969327 0.80 ACHE (0.70) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969158 0.79 ACHE (0.57) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969705 0.78 ACHE (0.68) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968773 0.78 ACHE (0.97) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968413 0.78 ACHE (0.68) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969691 0.78 ACHE (0.63) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL6921297 0.77 ACHE (0.70) 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 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