SCHEMBL4795035

SCHEMBL4795035

CC(C)C1CN(c2ccc(Cl)nn2)CCN1.CC(C)C1CN(c2cccnn2)CCN1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.46
PRKCD Q05655 1/20 0.46
BPTF Q12830 1/20 0.46
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
HDAC1 Q13547 1/20 0.41
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.39
ZAP70 P43403 1/20 0.36

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
SCHEMBL4794349 0.91 BPTF (0.55) PRKCQPRKCDBPTFCHRNB2CHRNA4
SCHEMBL4775881 0.91 BPTF (0.55) PRKCQPRKCDBPTFCHRNB2CHRNA4
SCHEMBL32685345 0.91 PRKCQ (0.53) PRKCQPRKCDHDAC1ZAP70
SCHEMBL32685368 0.91 PRKCQ (0.53) PRKCQPRKCDHDAC1ZAP70
SCHEMBL4779990 0.91 PRKCQ (0.53) PRKCQPRKCDHDAC1ZAP70
SCHEMBL14258699 0.76 HDAC1 (0.44) PRKCQPRKCDBPTFCHRNB2CHRNA4
SCHEMBL4725434 0.75 HDAC1 (0.48) PRKCQPRKCDBPTFCHRNB2CHRNA4
SCHEMBL4725933 0.75 HDAC1 (0.43) PRKCQPRKCDBPTFCHRNB2CHRNA4
SCHEMBL32685342 0.75 PRKCQ (0.49) PRKCQPRKCDHDAC1
SCHEMBL32685344 0.75 PRKCQ (0.49) PRKCQPRKCDHDAC1

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-2008005368-A2 PIPERAZINES AS P2X7 ANTAGONISTS ABBOTT LABORATORIES (US) 2008-01-10 WO disclosed