SCHEMBL30740962

SCHEMBL30740962

CN(C)CCNC(=O)c1c[nH]c(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.46
MCHR1 Q99705 1/20 0.46
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
SETD7 Q8WTS6 1/20 0.45
LSS P48449 1/20 0.44
IGF1R P08069 2/20 0.44
ABL1 P00519 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TRPV1 Q8NER1 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
TACR2 P21452 1/20 0.42
TACR1 P25103 1/20 0.42
PRKD1 Q15139 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 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
SCHEMBL30741076 0.87 POLB (0.55) MCHR1ALDH1A1TRPV1
SCHEMBL18474172 0.82 MCHR1 (0.61) HDAC4HDAC1HDAC6MRGPRX4MCHR1
SCHEMBL21552087 0.75 MCHR1 (0.54) HDAC4HDAC1HDAC6MRGPRX4MCHR1
SCHEMBL30740974 0.74 SIGMAR1 (0.43) SIGMAR1
SCHEMBL29158960 0.74 ALDH1A1 (0.45) HDAC4HDAC1HDAC6MRGPRX4MCHR1
SCHEMBL2859647 0.74 ALDH1A1 (0.72) HDAC1MRGPRX4ALDH1A1KDM4ENPC1
SCHEMBL29551706 0.72 MAPT (0.47) MRGPRX4ALDH1A1KDM4E
SCHEMBL30046741 0.72 ALDH1A1 (0.73) HDAC4HDAC1HDAC6SETD7ALDH1A1
SCHEMBL21551834 0.71 HDAC4 (0.50) HDAC4HDAC1HDAC6MRGPRX4MCHR1
SCHEMBL20205517 0.71 SMN1; SMN2 (0.48) HDAC4HDAC1HDAC6MRGPRX4MCHR1

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