SCHEMBL29987483

SCHEMBL29987483

CC(C)c1cc(OC2CCN(C(C)(C)C)CC2)nnc1Cl

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.33
▸ CSF1R P07333 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.30
▸ LIPE Q05469 1/20 0.30
▸ MMP1 P03956 1/20 0.30

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
SCHEMBL28639975 0.80 GPR119 (0.52) GPR119
SCHEMBL28632585 0.79 SLC6A4 (0.38) —
SCHEMBL29986359 0.79 SLC6A4 (0.38) —
SCHEMBL29987275 0.74 SLC6A4 (0.42) —
SCHEMBL29986378 0.72 FPR2 (0.31) —
SCHEMBL29571300 0.72 GPR119 (0.41) HRH3GPR119LIPE
SCHEMBL28638133 0.72 HRH4 (0.34) —
SCHEMBL29986381 0.72 CHRM2 (0.44) GPR119
SCHEMBL29571974 0.70 GPR119 (0.40) HRH3GPR119LIPE
SCHEMBL8511025 0.68 MAPK14 (0.39) MAPK14HRH3

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-113278013-B 2, 6-disubstituted 1,2, 4-triazine-3, 5-diketone compound and preparation method and application thereof 昆药集团股份有限公司 2022-09-23 — — CN disclosed
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