SCHEMBL28341902

SCHEMBL28341902

CC(C)(C)OC(=O)N1CC(n2cc(C3OC(C)(C)C(C)(C)O3)cn2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.41
▸ CRBN Q96SW2 1/20 0.41
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ GPR119 Q8TDV5 3/20 0.37
▸ USP30 Q70CQ3 2/20 0.37
▸ NR1H2 P55055 2/20 0.36
▸ RORC P51449 3/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ RET P07949 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
SCHEMBL2681713 0.89 DDB1 (0.52) DDB1CRBNGPR119CCNCCDK8
SCHEMBL3599876 0.82 NR1H2 (0.38) GPR119USP30NR1H2RORC
SCHEMBL15647731 0.79 ROCK2 (0.39) DDB1CRBNGPR119USP30NR1H2
SCHEMBL660078 0.79 USP30 (0.49) DDB1CRBNGPR119USP30NR1H2
SCHEMBL991994 0.78 DDB1 (0.38) DDB1CRBNGPR119CCNCCDK8
SCHEMBL25326690 0.78 DDB1 (0.43) DDB1CRBNPSEN1PSEN2APH1B
SCHEMBL11946807 0.78 DDB1 (0.43) DDB1CRBNPSEN1PSEN2APH1B
SCHEMBL24990092 0.77 DDB1 (0.43) DDB1CRBNGPR119USP30NR1H2
SCHEMBL22585504 0.77 DDB1 (0.43) DDB1CRBNPSEN1PSEN2APH1B
SCHEMBL23511226 0.77 DDB1 (0.43) DDB1CRBNPSEN1PSEN2APH1B

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-110627770-A Tetrahydroquinoline compositions as BET bromodomain inhibitors 福马疗法公司 2019-12-31 — — CN disclosed
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