SCHEMBL19507956

SCHEMBL19507956

CC1CCCCCC(CN)C1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
ACHE P22303 1/20 0.39
CYP2D6 P10635 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
NCF1 P14598 1/20 0.34
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 1/20 0.32
EPHX1 P07099 1/20 0.31
CHRM5 P08912 2/20 0.30
ADRA2C P18825 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 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
SCHEMBL24516903 1.00 EPHX2 (0.45) EPHX2ACHECYP2D6SIGMAR1NCF1
SCHEMBL19090147 0.93
SCHEMBL12856273 0.93
SCHEMBL13579950 0.93
SCHEMBL715682 0.93
SCHEMBL19090149 0.93
SCHEMBL19090146 0.93
SCHEMBL10305556 0.93
SCHEMBL10053834 0.93
SCHEMBL14073596 0.88 EPHX2 (0.48) EPHX2NCF1

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-20170308893-A1 ASSET AND OBLIGATION MANAGEMENT USING FLEXIBLE SETTLEMENT TIMES Digital Asset Holdings 2017-10-26 US disclosed