SCHEMBL27172001

SCHEMBL27172001

COC(=O)c1ccc(Br)cc1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.48
USP30 Q70CQ3 5/20 0.47
SCN9A Q15858 2/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
FPR3 P25089 2/20 0.44
PDE4B Q07343 1/20 0.42
TRPV3 Q8NET8 1/20 0.42
HPGDS O60760 1/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
EED O75530 1/20 0.40
RBBP4 Q09028 1/20 0.40
SUZ12 Q15022 1/20 0.40
EZH2 Q15910 1/20 0.40
AEBP2 Q6ZN18 1/20 0.40
PBK Q96KB5 1/20 0.40
UCHL1 P09936 1/20 0.39

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
SCHEMBL30074465 1.00 FPR2 (0.48) FPR2USP30SCN9AJAK2JAK1
SCHEMBL27171876 1.00 FPR2 (0.48) FPR2USP30SCN9AJAK2JAK1
SCHEMBL27171944 0.95 USP30 (0.48) FPR2USP30FPR3PDE4BTRPV3
SCHEMBL29279272 0.95 USP30 (0.48) FPR2USP30FPR3PDE4BTRPV3
SCHEMBL30074441 0.95 USP30 (0.48) FPR2USP30FPR3PDE4BTRPV3
SCHEMBL29279276 0.87 SCN9A (0.45) FPR2USP30SCN9AJAK2JAK1
SCHEMBL30074442 0.87 SCN9A (0.45) FPR2USP30SCN9AJAK2JAK1
SCHEMBL27171864 0.85 KDM4E (0.42)
SCHEMBL31386029 0.80 PDE4B (0.53) USP30SCN9AJAK2JAK1PDE4B
SCHEMBL14862490 0.79 EED (0.48) USP30JAK2JAK1PDE4BHPGDS

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
EP-4337660-A1 HETEROCYCLIC DERIVATIVES AS CAMKK2 INHIBITORS Bristol-Myers Squibb Company (US) 2024-03-20 EP disclosed