SCHEMBL31270940

SCHEMBL31270940

CC(C)(C)OC(=O)N1CCC2(C1)NC(=O)N(c1ccc(Br)cc1)C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.46
USP30 Q70CQ3 1/20 0.43
TACR1 P25103 2/20 0.42
POLB P06746 1/20 0.40
ROCK2 O75116 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
ESRRB O95718 1/20 0.38
ESR1 P03372 1/20 0.38
ESRRA P11474 1/20 0.38
ESRRG P62508 1/20 0.38
FPR2 P25090 3/20 0.38
FPR3 P25089 1/20 0.38
CYP11B2 P19099 1/20 0.37
ACACB O00763 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL31271700 0.94 POLB (0.43) RORCUSP30TACR1POLBROCK2
SCHEMBL30694554 0.93 TACR1 (0.45) RORCUSP30TACR1POLBGPR119
SCHEMBL21151787 0.89 USP30 (0.54) RORCUSP30TACR1GPR119ITGB3
SCHEMBL27332238 0.87 USP30 (0.49) RORCUSP30TACR1ROCK2GPR119
SCHEMBL31277323 0.87 USP30 (0.49) RORCUSP30TACR1ROCK2GPR119
SCHEMBL31537258 0.84 POLB (0.56) USP30TACR1POLBGPR119ITGB3
SCHEMBL31270993 0.83 USP30 (0.43) RORCUSP30TACR1POLBGPR119
SCHEMBL21151418 0.82 TACR1 (0.45) USP30TACR1POLBGPR119ITGB3
SCHEMBL19534281 0.81 GPR119 (0.51) USP30TACR1POLBGPR119ITGB3
SCHEMBL30327653 0.80 TACR1 (0.56) RORCTACR1POLBGPR119ITGB3

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-2024249950-A1 FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF MENIN BIOMEA FUSION, INC. (US) 2024-12-05 WO disclosed