SCHEMBL21622271

SCHEMBL21622271

CC(C)(C)OC(=O)N1CC(F)(c2ncc(Br)cn2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
RORC P51449 3/20 0.39
GPR119 Q8TDV5 5/20 0.37
USP30 Q70CQ3 2/20 0.37
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
CYP11B2 P19099 1/20 0.35
ACACB O00763 1/20 0.35
DGAT1 O75907 1/20 0.35

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
SCHEMBL18149380 0.85 NR1H2 (0.41) NR1H2RORCGPR119POLBHTT
SCHEMBL21351606 0.82 NR1H2 (0.39) NR1H2RORCGPR119USP30POLB
SCHEMBL21622382 0.79 USP30 (0.50) NR1H2GPR119USP30DGAT1
SCHEMBL23791307 0.78 CYP11B2 (0.43) NR1H2RORCGPR119USP30CYP11B2
SCHEMBL28405975 0.78 RORC (0.42) RORCGPR119USP30POLB
SCHEMBL569652 0.78 RORC (0.54) RORCUSP30
SCHEMBL18149524 0.77 GPR119 (0.41) GPR119POLBCKS1BSKP1SKP2
SCHEMBL25447173 0.77 GPR119 (0.54) NR1H2GPR119CYP11B2ACACB
SCHEMBL31283755 0.77 RORC (0.45) RORCGPR119USP30CYP11B2ACACB
SCHEMBL23791269 0.75 GPR119 (0.47) RORCGPR119USP30POLBCYP11B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3822266-A1 PYRROLIDINYL UREA DERIVATIVES AND APPLICATION THEREOF IN TRKA-RELATED DISEASES Zhangzhou Pien Tze Huang Pharmaceutical Co., Ltd (CN) 2021-05-19 EP disclosed
WO-2020011227-A1 PYRROLIDINYL UREA DERIVATIVES AND APPLICATION THEREOF IN TRKA-RELATED DISEASES 南京明德新药研发有限公司 2020-01-16 WO disclosed