SCHEMBL28355017

SCHEMBL28355017

COc1ccc(C(CC2CCN(C(=O)OC(C)(C)C)CC2)NC(=O)c2ccc(Br)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.48
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
MMP13 P45452 1/20 0.43
GPR183 P32249 3/20 0.43
PIK3CD O00329 1/20 0.41
FPR2 P25090 2/20 0.41
KMT2A Q03164 1/20 0.40
FPR3 P25089 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC1 Q13547 1/20 0.39
YAP1 P46937 1/20 0.38

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
SCHEMBL23111238 1.00 GPR119 (0.48) GPR119KDM4EPKMMMP13GPR183
SCHEMBL20618534 0.92 GPR119 (0.48) GPR119KDM4EPKMMMP13PIK3CD
SCHEMBL20601460 0.92 GPR119 (0.48) GPR119KDM4EPKMMMP13PIK3CD
SCHEMBL20618547 0.92 GPR119 (0.48) GPR119KDM4EPKMMMP13KMT2A
SCHEMBL20618538 0.92 GPR119 (0.48) GPR119KDM4EPKMMMP13PIK3CD
SCHEMBL20601462 0.90 GPR119 (0.47) GPR119KDM4EPKMMMP13PIK3CD
SCHEMBL20601212 0.89 GPR183 (0.46) GPR183MAPK1
SCHEMBL20601216 0.89 GPR183 (0.46) GPR183MAPK1
SCHEMBL20601240 0.86 KDM4E (0.50) GPR119KDM4EPKMMMP13KMT2A
SCHEMBL23088074 0.86 KDM4E (0.50) GPR119KDM4EPKMMMP13KMT2A

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
CN-110770222-A Modulators of indoleamine2, 3-dioxygenase 葛兰素史克知识产权开发有限公司 2020-02-07 CN disclosed