SCHEMBL27640770

SCHEMBL27640770

O=COCCC1CC(=O)NN1c1ncccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.31
▸ LCAT P04180 1/20 0.31
▸ MALT1 Q9UDY8 1/20 0.31
▸ TRPA1 O75762 1/20 0.31

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
SCHEMBL28160565 0.81 HSD11B1 (0.36) HSD11B1LCATMALT1TRPA1
SCHEMBL21645299 0.73 HSD11B1 (0.44) HSD11B1MALT1
SCHEMBL23005388 0.70 MALT1 (0.42) HSD11B1MALT1TRPA1
SCHEMBL12528898 0.69 MALT1 (0.40) HSD11B1MALT1TRPA1
SCHEMBL3740818 0.69 MALT1 (0.40) MALT1TRPA1
SCHEMBL951112 0.69 CYP2C19 (0.44) HSD11B1MALT1
SCHEMBL29661868 0.69 CYP2C19 (0.44) HSD11B1MALT1
SCHEMBL29276397 0.69 HSD11B1 (0.38) HSD11B1MALT1TRPA1
SCHEMBL29661865 0.69 CYP2C19 (0.44) HSD11B1MALT1
SCHEMBL29661853 0.68 NPFFR1 (0.37) HSD11B1MALT1TRPA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101607957-B Intermediate for preparing 3-halo-4,5-dihydro-1h-pyrazoles PONT US DU 2012-09-26 — — CN disclosed
CN-101607957-A Be used to prepare 3-halo-4, the intermediate of 5-dihydro-1 h-pyrazole DU PONT (US) 2009-12-23 — — CN disclosed
CN-100537561-C Process for preparing 3-halo-4, 5-dihydro-1H-pyrazoles DU PONT (US) 2009-09-09 — — CN disclosed
CN-1826332-A Process for preparing 3-halo-4, 5-dihydro-1H-pyrazoles DU PONT (US) 2006-08-30 — — CN disclosed
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