SCHEMBL6930889

SCHEMBL6930889

CCCCN1CCCN(C(=O)c2cccc(N)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
PARP1 P09874 1/20 0.49
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
SLC29A1 Q99808 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CNR2 P34972 1/20 0.47
DRD2 P14416 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
HTR2A P28223 1/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 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 0.95 CNR2 (0.48) CA12CA1CA2CA7CA9
SCHEMBL6692750 0.95 CNR2 (0.48) CA12CA1CA2CA7CA9
SCHEMBL6927396 0.93 PARP1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL14204979 0.89 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL6703688 0.88 PARP1 (0.49) PARP1POLBSMN1; SMN2SLC29A1MEN1
SCHEMBL6688048 0.88 PARP1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL6692746 0.84 CNR2 (0.51) CA12CA1CA2CA9PARP1
SCHEMBL6688413 0.84 CNR2 (0.51) CA12CA1CA2CA9PARP1
SCHEMBL6687439 0.82 HPGD (0.46) CA12CA1CA2CA9PARP1
SCHEMBL2377015 0.82 CA12 (0.59) CA12CA1CA2CA7CA9

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
WO-2004073619-A2 CCR8 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO claimed
WO-2004073619-A2 CCR8 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO disclosed