SCHEMBL29259396

SCHEMBL29259396

COc1ccc(C(=O)N2CCN(C(=CC=O)c3ccc(Br)cc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 4/20 0.62
KCNH2 Q12809 1/20 0.62
HPGD P15428 2/20 0.56
ALDH1A1 P00352 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.51
HSP90AA1 P07900 1/20 0.51
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.50
DRD2 P14416 3/20 0.49
DRD3 P35462 2/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL29259413 1.00 GPR183 (0.62) GPR183KCNH2HPGDALDH1A1L3MBTL1
SCHEMBL26487595 0.87 GPR183 (0.73) GPR183KCNH2HPGDALDH1A1L3MBTL1
SCHEMBL29259411 0.82 ALDH1A1 (0.54) GPR183HPGDALDH1A1L3MBTL1CA12
SCHEMBL20631562 0.79 HPGD (0.86) GPR183HPGDALDH1A1L3MBTL1CA12
SCHEMBL16598585 0.77 GPR183 (1.00) GPR183KCNH2
SCHEMBL16598583 0.77 GPR183 (1.00) GPR183KCNH2
SCHEMBL29259402 0.76 HPGD (0.69) GPR183HPGDALDH1A1L3MBTL1CA12
SCHEMBL26093881 0.74 GPR183 (0.93) GPR183KCNH2
SCHEMBL10053023 0.73 HPGD (0.75) GPR183HPGDALDH1A1L3MBTL1CA12
SCHEMBL28474010 0.73 HPGD (0.75) GPR183HPGDALDH1A1L3MBTL1CA12

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
CN-118201911-A Compounds and their use as GPR183 inhibitors 南京艾美斐生物医药科技有限公司 2024-06-14 CN claimed
CN-118201911-A Compounds and their use as GPR183 inhibitors 南京艾美斐生物医药科技有限公司 2024-06-14 CN disclosed