SCHEMBL8969764

SCHEMBL8969764

Cc1ccc2c(c1)CN1C(=N2)C2CCC1C2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 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
SCHEMBL8969263 0.89 CTSD (0.33) HTR2AHTR2CHTR2BNOS3NOS1
SCHEMBL8969504 0.83 ACHE (0.40) PDE3BPDE3AHTR2AHTR2CHTR2B
SCHEMBL8969419 0.83
SCHEMBL8969737 0.83 OPRM1 (0.31)
SCHEMBL8968791 0.82 HTR2A (0.34) PDE3BPDE3AHTR2AHTR2CHTR2B
SCHEMBL8968239 0.78
SCHEMBL8969463 0.78 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL8970140 0.77 CTSD (0.32)
SCHEMBL8969633 0.77 CTSD (0.41) HTR2C
SCHEMBL8968760 0.75 PDE3B (0.34) PDE3BPDE3AHTR2AHTR2CHTR2B

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