SCHEMBL9503512

SCHEMBL9503512

CONC1=CCCN(C)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.49
CHRM5 P08912 2/20 0.49
CHRM1 P11229 2/20 0.49
LMNA P02545 1/20 0.49
CHRM4 P08173 1/20 0.49
THRB P10828 1/20 0.49
CHRM3 P20309 1/20 0.49
BLM P54132 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL6635146 0.68
SCHEMBL21461250 0.68 CHRM2 (0.45) CHRM2CHRM5CHRM1LMNACHRM4
SCHEMBL18049064 0.65 CHRM2 (0.64) CHRM2CHRM5CHRM1LMNACHRM4
Arecoline SCHEMBL44065 0.65 CHRM2 (1.00) CHRM2CHRM5CHRM1LMNACHRM4
Methoxyamine SCHEMBL21461251 0.65 CHRM2 (0.46) CHRM2CHRM5CHRM1LMNACHRM4
Arecoline SCHEMBL527735 0.64 BLM (1.00) CHRM2CHRM5CHRM1LMNACHRM4
Arecoline SCHEMBL3057863 0.64 CHRM2 (0.96) CHRM2CHRM5CHRM1LMNACHRM4
SCHEMBL2608725 0.64
SCHEMBL9130174 0.64 CHRM2 (0.48) CHRM2CHRM5CHRM1LMNACHRM4
SCHEMBL15800663 0.64

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
EP-0546005-A1 1,2,5,6-TETRAHYDROPYRIDINE OXIME DERIVATIVES BEECHAM GROUP plc (GB) 1993-06-16 EP claimed
WO-1992004323-A1 1,2,5,6-TETRAHYDROPYRIDINE OXIME DERIVATIVES BEECHAM GROUP PLC (GB) 1992-03-19 WO claimed