SCHEMBL31017016

SCHEMBL31017016

COc1cc2c(cc1Br)OCCN2C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.46
PDE10A Q9Y233 1/20 0.46
KMT2A Q03164 2/20 0.44
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GHSR Q92847 1/20 0.39
AR P10275 1/20 0.39
NOTUM Q6P988 1/20 0.39
HTR2A P28223 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
SCHEMBL29451151 0.84 MAPT (0.38) KMT2ALMNAHTTMAPTMAPK1
SCHEMBL29108076 0.81 KMT2A (0.49) RXFP1KMT2ALMNAPOLBKDM4E
SCHEMBL30665945 0.81 KMT2A (0.49) RXFP1KMT2ALMNAPOLBKDM4E
SCHEMBL30659636 0.80 GRM5 (0.40) PDE10AKMT2ALMNAHTTMAPT
SCHEMBL27434483 0.79 RXFP1 (0.56) RXFP1PDE10AKMT2ACYP11B1CYP11B2
SCHEMBL30954136 0.79 RXFP1 (0.56) RXFP1PDE10AKMT2ACYP11B1CYP11B2
SCHEMBL30665873 0.79 NOTUM (0.50) KMT2ATHRBMAPTGLANOTUM
SCHEMBL16896776 0.79 NOTUM (0.50) KMT2ATHRBMAPTGLANOTUM
SCHEMBL30659674 0.78 HTR2A (0.49) HTTKDM4EHTR2A
SCHEMBL30954097 0.78 POLB (0.47) RXFP1PDE10AKMT2ACYP11B1CYP11B2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024222712-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRAZINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海赛默罗生物科技有限公司 2024-10-31 WO disclosed
WO-2024217500-A1 ISOQUINOLINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海赛默罗生物科技有限公司 2024-10-24 WO disclosed
CN-118515663-A Imidazopyridine or imidazopyrazine compounds, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-08-20 CN disclosed
CN-118359538-A Isoquinoline compound, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-07-19 CN disclosed