SCHEMBL7321129

SCHEMBL7321129

CN1C2CCCC1/C(=N/O)C2

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
CHRNA7 P36544 1/20 0.35
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 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
SCHEMBL7321131 1.00 MAPK1 (0.45) MAPK1CHRNA7CHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL9520680 0.98 MAPK1 (0.44) MAPK1CHRNA7CHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL9520671 0.98 MAPK1 (0.44) MAPK1CHRNA7CHRM2CHRM4CHRM1
SCHEMBL15786598 0.90 CHRNA7 (0.36) MAPK1CHRNA7
SCHEMBL2957850 0.75 MAPK1 (0.54) MAPK1CHRNA7CHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL2957846 0.73 MAPK1 (0.52) MAPK1CHRNA7CHRM2CHRM4CHRM1
SCHEMBL934084 0.68 MAPK1 (0.61) MAPK1CHRM2CHRM4CHRM1CHRM3
SCHEMBL15028241 0.67 SLC6A4 (0.37) MAPK1CHRM2CHRM1CHRM3
SCHEMBL1114394 0.66 MAPK1 (0.41) MAPK1CHRNA7CHRM3
SCHEMBL18746525 0.65 SLC6A4 (0.33) MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992012149-A1 AZABICYDIC AND AZATRICYDIC DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1992-07-23 WO disclosed