SCHEMBL30740974

SCHEMBL30740974

CN(C)CCN1CCN(C(=O)c2c[nH]c(-c3ccc(C(F)(F)F)cc3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
STAT3 P40763 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
SLC6A4 P31645 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
LDHA P00338 1/20 0.41
KDM1A O60341 1/20 0.41
KCNH2 Q12809 1/20 0.41
SRPK1 Q96SB4 1/20 0.41
EPHX2 P34913 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A7 Q99884 1/20 0.40
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39

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
SCHEMBL29158967 0.74 SRPK1 (0.41) SIGMAR1SLC6A5HRH3SRPK1MEN1
SCHEMBL30740962 0.74 HDAC4 (0.51) SIGMAR1
SCHEMBL17886732 0.73 HPGD (0.65) MEN1HPGDTSHRKMT2A
SCHEMBL30740872 0.73 STAT3 (0.46) SIGMAR1STAT3SLC6A5LDHASRPK1
SCHEMBL29158948 0.72 SRPK1 (0.37) SIGMAR1SLC6A5SRPK1MEN1KMT2A
SCHEMBL13211936 0.69 KCNA5 (0.59) MEN1HPGDKMT2A
SCHEMBL27189115 0.68 BRAF (0.43) SIGMAR1STAT3SLC6A5KCNH2SRPK1
SCHEMBL14684130 0.68 SLC6A5 (0.46) SIGMAR1SLC6A5HRH3SRPK1ACKR3
SCHEMBL16256957 0.68 SIGMAR1 (0.61) SIGMAR1STAT3SLC6A5LDHAEPHX2
SCHEMBL5563586 0.68 MEN1 (0.47) SIGMAR1HRH3KCNH2MEN1KMT2A

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-117396465-A Novel oxazole derivative for preventing or treating allergic diseases and pharmaceutical composition containing the same 阿斯克里斯有限公司 2024-01-12 CN disclosed