SCHEMBL8968555

SCHEMBL8968555

N=c1c2ccc(Br)cc2nc2n1C1CC3CC(CC2C3)C1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.36
HRH4 Q9H3N8 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL8969661 0.85 BCHE (0.34) HRH4ACHE
SCHEMBL8970437 0.84 MPO (0.36) MPOACHE
SCHEMBL8969460 0.84 ACHE (0.42) MPOACHE
SCHEMBL8968270 0.79
SCHEMBL8969894 0.77 KDM4E (0.38) HRH4ACHE
SCHEMBL8969011 0.77
SCHEMBL8969543 0.77
SCHEMBL8969797 0.76 LRRK2 (0.39) MPOACHE
SCHEMBL8968456 0.75 ACHE (0.37) ACHE
SCHEMBL8968188 0.74 ACHE (0.32) ACHE

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