SCHEMBL8259151

SCHEMBL8259151

CN1C(=O)[C@@H](Cc2cccc(Br)c2)CN(C(=O)c2ccccc2)[C@H]1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.40
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
GLA P06280 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.34
CHRM3 P20309 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA9 Q16790 2/20 0.34
MMP2 P08253 1/20 0.34

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
SCHEMBL8259949 1.00 ABCB1 (0.40) ABCB1PSEN1PSEN2APH1BNCSTN
SCHEMBL8252581 0.86 ABCB1 (0.39) ABCB1PSEN1PSEN2APH1BNCSTN
SCHEMBL8240935 0.75 PIK3CD (0.36) ABCB1PSEN1PSEN2APH1BNCSTN
SCHEMBL7193232 0.68 RBP4 (0.42) ABCB1KMT2ANPC1RAB9ARBP4
SCHEMBL9706890 0.68 RBP4 (0.42) ABCB1KMT2ANPC1RAB9ARBP4
SCHEMBL8238415 0.68 RBP4 (0.42) ABCB1KMT2ANPC1RAB9ARBP4
SCHEMBL31518796 0.67 CARM1 (0.42) CA2CA9MMP2SIGMAR1
SCHEMBL7558692 0.66 PARP1 (0.42) ABCB1KMT2AMEN1RBP4ALDH1A1
SCHEMBL8232622 0.66 PARP1 (0.42) ABCB1KMT2AMEN1RBP4ALDH1A1
SCHEMBL7558696 0.66 PARP1 (0.42) ABCB1KMT2AMEN1RBP4ALDH1A1

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-2006120544-A1 β-AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2006-11-16 WO disclosed