SCHEMBL28878298

SCHEMBL28878298

CC(C)(C)OC(=O)N1CCC(C=Cc2ccc(Br)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.45
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
FPR2 P25090 2/20 0.42
FPR3 P25089 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL28878297 1.00 GPR119 (0.45) GPR119PTPN2PTPN1PTPN6FPR2
SCHEMBL26695711 0.83 MAOB (0.50) GPR119PTPN2PTPN1PTPN6FPR2
SCHEMBL14261797 0.83 MAOB (0.50) GPR119PTPN2PTPN1PTPN6FPR2
SCHEMBL20015680 0.83 MAOB (0.50) GPR119PTPN2PTPN1PTPN6FPR2
SCHEMBL20015325 0.81 GPR119 (0.60) GPR119
SCHEMBL28329047 0.79 USP30 (0.60) GPR119
SCHEMBL28329049 0.79 USP30 (0.60) GPR119
SCHEMBL14720686 0.79 GRM5 (0.47) GPR119
SCHEMBL3060853 0.79 GPR119 (0.48) GPR119PTPN2PTPN1PTPN6FPR2
SCHEMBL31697735 0.79 GPR119 (0.48) GPR119PTPN2PTPN1PTPN6FPR2

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-110506044-B BRD4 inhibitor and preparation and application thereof 中国科学院上海药物研究所 2022-07-05 CN disclosed
CN-110506044-A A kind of BRD4 inhibitor and its preparation and application SHANGHAI INST MATERIA MEDICA CAS 2019-11-26 CN disclosed