SCHEMBL23329720

SCHEMBL23329720

CC1(COCSc2ccc(Br)cc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
FPR2 P25090 6/20 0.40
FPR3 P25089 4/20 0.40
GPR119 Q8TDV5 5/20 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
TACR1 P25103 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 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
SCHEMBL23329451 0.87 RORC (0.43) RORCJAK2JAK1FPR2FPR3
SCHEMBL23329718 0.79 AOC2 (0.54) RORCGPR119
SCHEMBL4975040 0.75 GPR119 (0.51) GPR119TACR1ALDH1A1LMNAMAPT
SCHEMBL16764525 0.74 RORC (0.53) RORCJAK2JAK1FPR2FPR3
SCHEMBL5453826 0.74 GPR119 (0.51) FPR2FPR3GPR119ALDH1A1MAPT
SCHEMBL23536352 0.74 USP2 (0.46) TACR1ALDH1A1LMNAMAPT
SCHEMBL19336744 0.74 GPR119 (0.46) GPR119TACR1MEN1KMT2AALDH1A1
SCHEMBL26246633 0.72 RORC (0.46) RORCJAK2JAK1FPR2FPR3
SCHEMBL18321714 0.72 RORC (0.46) RORCJAK2JAK1FPR2FPR3
SCHEMBL1199600 0.72 RORC (0.51) RORCJAK2JAK1FPR2FPR3

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