SCHEMBL31438405

SCHEMBL31438405

Cc1nc(C(=O)N[C@@H]2CCC23CCCC3)cs1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ HIF1A Q16665 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ GRM5 P41594 2/20 0.37
▸ TYR P14679 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ GRM7 Q14831 1/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ IRAK4 Q9NWZ3 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
SCHEMBL3939741 0.77 TYR (0.52) TLR7KDM4EHIF1AGRM5TYR
SCHEMBL4175376 0.77 TLR7 (0.50) TLR7KDM4EHIF1ASLC6A3KCNH2
SCHEMBL31438387 0.74 NAMPT (0.40) GRM4
SCHEMBL31001168 0.74 NAMPT (0.40) GRM4
SCHEMBL30516670 0.72 NPC1 (0.49) MAPTTDP1
SCHEMBL19685173 0.70 ALDH1A1 (0.33) KDM4EMAPT
SCHEMBL30516645 0.69 NAMPT (0.39) —
SCHEMBL752656 0.68 RAB9A (0.58) TLR7KDM4EHIF1ASLC6A3KCNH2
SCHEMBL22001020 0.68 HIF1A (0.53) TLR7KDM4EHIF1ASLC6A3KCNH2
SCHEMBL13631420 0.67 TLR7 (0.53) TLR7KDM4EHIF1AMAPTTDP1

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
WO-2025056767-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED ALIPHATIC AMINES SYNGENTA CROP PROTECTION AG (CH) 2025-03-20 — — WO disclosed
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