SCHEMBL8969633

SCHEMBL8969633

COc1cc2c(cc1OC)N=C1C3CCC(C3)N1C2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSD P07339 4/20 0.41
PDE4B Q07343 5/20 0.36
ABCB1 P08183 1/20 0.35
PDE4D Q08499 3/20 0.33
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
MAOA P21397 3/20 0.32
MAOB P27338 2/20 0.32
SLC6A4 P31645 1/20 0.32
HTR2C P28335 1/20 0.32
DPP4 P27487 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 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
SCHEMBL8968517 0.83 CTSD (0.43) CTSDPDE4BPDE4DMAPTCYP3A4
SCHEMBL8969419 0.82
SCHEMBL8970140 0.79 CTSD (0.32) CTSD
SCHEMBL8969528 0.78 PARP1 (0.35) CTSDHTR2C
SCHEMBL8969818 0.78 PDE10A (0.33) ABCB1
SCHEMBL8968239 0.77
SCHEMBL8969263 0.77 CTSD (0.33) CTSDHTR2C
SCHEMBL8969764 0.77 PDE3B (0.34) HTR2C
SCHEMBL8968749 0.75 CTSD (0.38) CTSDABCB1PDE4DCYP3A4SIGMAR1
SCHEMBL8969504 0.74 ACHE (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 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