SCHEMBL23329451

SCHEMBL23329451

CC1(CSc2ccc(Br)cc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
GPR119 Q8TDV5 7/20 0.41
FPR2 P25090 5/20 0.41
FPR3 P25089 3/20 0.41
ESRRB O95718 1/20 0.40
ESR1 P03372 1/20 0.40
ESRRA P11474 1/20 0.40
ESRRG P62508 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 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
SCHEMBL23329720 0.87 RORC (0.41) RORCJAK2JAK1GPR119FPR2
SCHEMBL22557708 0.82 ALDH1A1 (0.44) MEN1KMT2AALDH1A1LMNA
SCHEMBL4975040 0.78 GPR119 (0.51) GPR119ALDH1A1LMNAMAPT
SCHEMBL16764525 0.77 RORC (0.53) RORCJAK2JAK1GPR119FPR2
SCHEMBL5453826 0.77 GPR119 (0.51) GPR119FPR2FPR3ALDH1A1MAPT
SCHEMBL23329477 0.77 USP30 (0.46) RORCGPR119FPR2FPR3MEN1
SCHEMBL23330154 0.75 FPR2 (0.47) RORCGPR119FPR2FPR3ALDH1A1
SCHEMBL18321714 0.75 RORC (0.46) RORCJAK2JAK1GPR119FPR2
SCHEMBL26246633 0.75 RORC (0.46) RORCJAK2JAK1GPR119FPR2
SCHEMBL23329718 0.75 AOC2 (0.54) RORCGPR119

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-2021083209-A1 SSAO INHIBITORS AND USE THEREOF ECCOGENE (SHANGHAI) CO., LTD. (CN) 2021-05-06 WO disclosed