SCHEMBL6692746

SCHEMBL6692746

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.51
CNR1 P21554 1/20 0.49
PARP1 P09874 1/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 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
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
SLC29A1 Q99808 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL6688413 1.00 CNR2 (0.51) CNR2CNR1PARP1CA12CA1
SCHEMBL6703688 0.95 PARP1 (0.49) CNR2CNR1PARP1SIGMAR1POLB
SCHEMBL6927393 0.91 PARP1 (0.56) CNR2PARP1POLBSMN1; SMN2SLC29A1
SCHEMBL6692750 0.89 CNR2 (0.48) CNR2CNR1PARP1CA12CA1
SCHEMBL6688415 0.89 CNR2 (0.48) CNR2CNR1PARP1CA12CA1
SCHEMBL6688045 0.86 PARP1 (0.54) PARP1SMN1; SMN2MEN1LMNATSHR
SCHEMBL6930889 0.84 CA12 (0.50) CNR2PARP1CA12CA1CA2
SCHEMBL6692009 0.81 CA12 (0.46) CNR2CNR1PARP1CA12CA1
SCHEMBL7937028 0.81 HPGD (0.53) CNR2CNR1POLBSMN1; SMN2MEN1
SCHEMBL3226370 0.80 LMNA (0.57) PARP1SMN1; SMN2MEN1LMNATSHR

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