SCHEMBL6692009

SCHEMBL6692009

CCCCCN1CCCN(C(=O)c2cc(C(N)=O)ccc2Br)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
PLA2G2A P14555 7/20 0.42
CNR2 P34972 4/20 0.42
CNR1 P21554 1/20 0.42
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
PARP1 P09874 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL6697097 0.92 PARP1 (0.42) CNR2PARP1
SCHEMBL6692012 0.87 CA2 (0.42) CA12CA1CA2CA9PLA2G2A
SCHEMBL6692575 0.84 LMNA (0.45) CA12CA1CA2CA9CNR2
SCHEMBL6692232 0.82 KMT2A (0.49)
SCHEMBL6688413 0.81 CNR2 (0.51) CA12CA1CA2CA9PLA2G2A
SCHEMBL6692746 0.81 CNR2 (0.51) CA12CA1CA2CA9PLA2G2A
SCHEMBL6703688 0.79 PARP1 (0.49) CNR2CNR1HRH2HRH1PARP1
SCHEMBL6697103 0.79 PARP1 (0.43) PARP1
SCHEMBL6687434 0.78 HPGD (0.44) CA12CA1CA2CA9PLA2G2A
SCHEMBL6692407 0.76 KMT2A (0.54)

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 claimed