SCHEMBL28550607

SCHEMBL28550607

Cc1c(-c2ccc(OC3CCN(C(N)=O)C(OC(C)C)C3)cc2)ccc2nccn12

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.32
HRH3 Q9Y5N1 3/20 0.32
EPHX2 P34913 2/20 0.31
KMT2A Q03164 1/20 0.31
APP P05067 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
CHEK2 O96017 1/20 0.30

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
SCHEMBL28912545 0.89 ACACB (0.34) ACACBHRH3EPHX2KMT2A
SCHEMBL28913329 0.88 KMT2A (0.32) ACACBHRH3EPHX2KMT2ACHEK2
SCHEMBL28559226 0.88 ACACB (0.33) ACACBHRH3EPHX2KMT2AAPP
SCHEMBL28912534 0.87 KMT2A (0.33) ACACBKMT2A
SCHEMBL28559852 0.86 ACACB (0.33) ACACBKMT2A
SCHEMBL28566752 0.84 KDM4E (0.33) ACACBHRH3EPHX2KMT2ACHEK2
SCHEMBL28560945 0.83 KMT2A (0.32) ACACBHRH3EPHX2KMT2ACHEK2
SCHEMBL28574863 0.83 CHEK2 (0.31) HRH3EPHX2KMT2ACHEK2
SCHEMBL18318454 0.82 EPHX2 (0.39) HRH3EPHX2KMT2ACHEK2
SCHEMBL28566527 0.82 KMT2A (0.34) ACACBKMT2A

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
CN-107847765-B 1, 4-substituted piperidine derivatives 89生物有限公司 2021-05-04 CN disclosed