SCHEMBL6692012

SCHEMBL6692012

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
GPR183 P32249 1/20 0.40
CHRM3 P20309 1/20 0.40
PLA2G2A P14555 6/20 0.39
HTR4 Q13639 2/20 0.39
ACHE P22303 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
STS P08842 3/20 0.38
PARP1 P09874 1/20 0.37

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
SCHEMBL6697103 0.92 PARP1 (0.43) PARP1
SCHEMBL6692009 0.87 CA12 (0.46) CA2CA9CA12CA1PLA2G2A
SCHEMBL6692578 0.83 LMNA (0.47) HTR4ACHEPARP1
SCHEMBL15688203 0.82 HRH4 (0.43) GPR183
SCHEMBL6692234 0.81 HTR4 (0.52) HTR4ACHE
SCHEMBL6697097 0.79 PARP1 (0.42) PARP1
SCHEMBL6688415 0.79 CNR2 (0.48) CA2CA9CA12CA1CHRM3
SCHEMBL6692750 0.79 CNR2 (0.48) CA2CA9CA12CA1CHRM3
SCHEMBL23981505 0.77 POLB (0.42) HTR4PARP1
SCHEMBL30396921 0.77 POLB (0.42) HTR4PARP1

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