SCHEMBL28976633

SCHEMBL28976633

Cc1nc(C)c(C2CCC(F)(F)CC2)nc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 17/20 0.38
▸ SOAT1 P35610 7/20 0.38
▸ FAAH O00519 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ DGAT2 Q96PD7 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ FFAR2 O15552 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ PARP1 P09874 1/20 0.32
▸ PARP2 Q9UGN5 1/20 0.32

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
SCHEMBL28976697 0.94 SCN10A (0.37) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL28976525 0.82 SCN10A (0.35) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL28976575 0.75 SCN10A (0.37) FFAR2SCN10APARP1PARP2
SCHEMBL28976927 0.75 PARP1 (0.33) DGAT1SOAT1FFAR2SCN10APARP1
SCHEMBL28976577 0.75 SCN10A (0.33) FFAR2SCN10A
SCHEMBL29252887 0.73 KDM1A (0.34) PARP1PARP2
SCHEMBL28976931 0.73 SCN10A (0.40) FFAR2SCN10APARP1PARP2
SCHEMBL28976382 0.72 SCN10A (0.39) FFAR2SCN10APARP1PARP2
SCHEMBL28976476 0.71 SCN10A (0.41) DGAT1SCN10APARP1PARP2
SCHEMBL28976948 0.70 MAP3K14 (0.35) SCN10APARP1PARP2

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-115884810-A Imidazopyridazines as IL-17 modulators 詹森药业有限公司 2023-03-31 — — CN disclosed
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