SCHEMBL6692750

SCHEMBL6692750

CCCCCCCCN1CCCN(C(=O)c2cccc(N)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.48
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
PARP1 P09874 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
POLB P06746 1/20 0.47
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
PLA2G2A P14555 1/20 0.47
CNR1 P21554 1/20 0.47
SLC29A1 Q99808 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNH2 Q12809 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CHRM3 P20309 1/20 0.45

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
SCHEMBL6688415 1.00 CNR2 (0.48) CNR2CA12CA1CA2CA9
SCHEMBL6930889 0.95 CA12 (0.50) CNR2CA12CA1CA2CA9
SCHEMBL6927396 0.91 PARP1 (0.56) CA12CA1CA2CA9CA7
SCHEMBL6692746 0.89 CNR2 (0.51) CNR2CA12CA1CA2CA9
SCHEMBL6688413 0.89 CNR2 (0.51) CNR2CA12CA1CA2CA9
SCHEMBL14204979 0.87 CA12 (0.55) CNR2CA12CA1CA2CA9
SCHEMBL6688048 0.86 PARP1 (0.54) CA12CA1CA2CA9CA7
SCHEMBL6703688 0.84 PARP1 (0.49) CNR2PARP1SIGMAR1POLBHRH2
SCHEMBL13196637 0.81 KCNH2 (0.43) SIGMAR1KCNH2CHRM3
SCHEMBL10724043 0.80 SIGMAR1 (0.70) CA12CA1CA2CA9SIGMAR1

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-2004074438-A2 CCR8 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO disclosed