SCHEMBL30813206

SCHEMBL30813206

O=c1n(Cc2nnc(C(F)(F)F)o2)nc2n1CCCC2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ PARG Q86W56 1/20 0.32
▸ GRIN1 Q05586 3/20 0.31
▸ GRIN2B Q13224 3/20 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
SCHEMBL30813100 0.77 SLC6A2 (0.32) MMP2MMP3MMP9MMP13
SCHEMBL21034347 0.76 PREP (0.42) —
SCHEMBL19609854 0.76 PREP (0.42) —
SCHEMBL19583926 0.72 — —
SCHEMBL30813103 0.72 PREP (0.36) —
SCHEMBL19584429 0.70 PREP (0.38) —
SCHEMBL30813057 0.70 PREP (0.48) —
SCHEMBL30813142 0.69 DHODH (0.33) —
SCHEMBL30813120 0.69 MEN1 (0.38) —
SCHEMBL30813159 0.69 PREP (0.41) —

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
EP-3455224-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AG (DE) 2024-03-27 — — EP disclosed
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