SCHEMBL8968517

SCHEMBL8968517

COc1cc2c(cc1OC)N=C1C3CC4CC(C3)CC(C4)N1C2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSD P07339 4/20 0.43
PDE4B Q07343 5/20 0.36
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
SLC6A4 P31645 1/20 0.31
HTR2C P28335 1/20 0.31
PDE4D Q08499 3/20 0.31

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
SCHEMBL8969633 0.83 CTSD (0.41) CTSDPDE4BCYP3A4MAPTMAOA
SCHEMBL8969194 0.80 CTSD (0.33) CTSD
SCHEMBL8969231 0.76 MAOA (0.35) CTSDMAOA
SCHEMBL8969466 0.76 CTSD (0.49) CTSDHTR2C
SCHEMBL8968314 0.76 PDE3B (0.40) CTSDHTR2C
SCHEMBL8968336 0.75
SCHEMBL8969760 0.75 CTSD (0.34) CTSD
SCHEMBL9540235 0.73 CTSD (0.47) CTSDCYP3A4
SCHEMBL8969678 0.72 CTSD (0.39) CTSDPDE4BCYP3A4MAPTMAOA
SCHEMBL8969521 0.72 CTSD (0.40) CTSDHTR2C

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