SCHEMBL31599262

SCHEMBL31599262

CC(C)(C)OC(=O)N1CCN(Cc2ccc(OC(F)F)cc2)C[C@H]1COC(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
CCR1 P32246 1/20 0.38
CACNA1H O95180 1/20 0.38
CHRM4 P08173 1/20 0.38
CCR3 P51677 1/20 0.38
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
ALDH1A1 P00352 1/20 0.36
PDE2A O00408 1/20 0.36
S1PR5 Q9H228 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
S1PR1 P21453 1/20 0.36
TACR1 P25103 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL31599275 0.88 L3MBTL1 (0.43) NR1H2NR1H3ALDH1A1TACR1MEN1
SCHEMBL28612839 0.86 POLB (0.39) POLBCCR1CHRM4ALDH1A1S1PR5
SCHEMBL28612840 0.86 POLB (0.39) POLBCCR1CHRM4ALDH1A1S1PR5
SCHEMBL31599298 0.79 MAPT (0.40) NR1H2NR1H3TACR1
SCHEMBL31599268 0.77 LMNA (0.45) NR1H2NR1H3ALDH1A1TACR1MEN1
SCHEMBL21274222 0.76 NR1H2 (0.46) NR1H2NR1H3ALDH1A1SIGMAR1KMT2A
SCHEMBL8448438 0.76 NR1H2 (0.58) NR1H2NR1H3SIGMAR1
SCHEMBL6099695 0.76 NR1H2 (0.58) NR1H2NR1H3SIGMAR1
SCHEMBL28577987 0.74 LTA4H (0.40) POLBCHRM4ALDH1A1MEN1KMT2A
SCHEMBL28577985 0.74 LTA4H (0.40) POLBCHRM4ALDH1A1MEN1KMT2A

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-113072546-B Five-membered heteroaromatic derivative and preparation method and application thereof 广东东阳光药业股份有限公司 2025-05-30 CN disclosed