SCHEMBL11849600

SCHEMBL11849600

NC1(CC2CCCCC2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
CHRM5 P08912 2/20 0.31
CYP1A2 P05177 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
DPP4 P27487 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL7876056 0.92 SCN1A (0.31)
SCHEMBL24494545 0.92
SCHEMBL8376258 0.84
SCHEMBL6987243 0.78
SCHEMBL17437762 0.74 HSD11B1 (0.34)
SCHEMBL9821146 0.74 CHRM5 (0.33) SIGMAR1CHRM5CYP1A2ADRA2CCHRM2
SCHEMBL17807901 0.72 ACHE (0.34) SIGMAR1CYP1A2DPP4
SCHEMBL18949275 0.70
SCHEMBL22330665 0.70 CHRM5 (0.31) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL992288 0.70

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
US-3959374-A CONTINUOUS JEFFERSON CHEMICAL COMPANY, INC. (US) 1976-05-25 US disclosed