SCHEMBL8969460

SCHEMBL8969460

N=c1c2ccc(Cl)cc2nc2n1C1CC3CC(CC2C3)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.42
POLB P06746 1/20 0.37
MPO P05164 1/20 0.36
NR4A2 P43354 1/20 0.35
BCHE P06276 6/20 0.35
NOS1 P29475 2/20 0.35
EPHX2 P34913 2/20 0.35
LRRK2 Q5S007 3/20 0.34
HSD17B10 Q99714 2/20 0.33
PLA2G1B P04054 1/20 0.33
TSHR P16473 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL8969797 0.90 LRRK2 (0.39) ACHEMPOLRRK2KDM4E
SCHEMBL8969661 0.85 BCHE (0.34) ACHEPOLBBCHEHSD17B10TSHR
SCHEMBL8968555 0.84 MPO (0.36) ACHEMPO
SCHEMBL8970437 0.84 MPO (0.36) ACHEMPOBCHELRRK2
SCHEMBL8968897 0.79 BCHE (0.31) ACHEBCHE
SCHEMBL8969894 0.77 KDM4E (0.38) ACHEBCHEKDM4E
SCHEMBL8969363 0.77
SCHEMBL8968435 0.77
SCHEMBL8968456 0.75 ACHE (0.37) ACHEPOLBTSHRKDM4E
SCHEMBL8968606 0.74 ACHE (0.39) ACHENR4A2LRRK2

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