SCHEMBL8968314

SCHEMBL8968314

Clc1ccc2c(c1)CN1C(=N2)C2CC3CC(C2)CC1C3

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ACHE P22303 1/20 0.40
CTSD P07339 6/20 0.38
HTR2C P28335 7/20 0.35
HTR2A P28223 6/20 0.35
HTR2B P41595 4/20 0.35

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
SCHEMBL8969466 0.89 CTSD (0.49) ACHECTSDHTR2CHTR2AHTR2B
SCHEMBL8968336 0.85
SCHEMBL8968791 0.85 HTR2A (0.34) PDE3BPDE3AHTR2CHTR2AHTR2B
SCHEMBL8969194 0.84 CTSD (0.33) CTSD
SCHEMBL8969504 0.83 ACHE (0.40) PDE3BPDE3AACHECTSDHTR2C
SCHEMBL8969521 0.82 CTSD (0.40) CTSDHTR2CHTR2AHTR2B
SCHEMBL9540235 0.81 CTSD (0.47) PDE3BPDE3AACHECTSD
SCHEMBL8969208 0.78 KLK7 (0.32) HTR2CHTR2A
SCHEMBL8969704 0.77 HTR2C (0.36) CTSDHTR2CHTR2B
SCHEMBL8968559 0.77 PDE3B (0.44) PDE3BPDE3ACTSD

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