SCHEMBL7116195

SCHEMBL7116195

CC(NCc1ccc(C(=N)N)cc1)C(=O)NCC(=O)NCCc1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ST14 Q9Y5Y6 2/20 0.55
▸ F2 P00734 12/20 0.52
▸ MASP2 O00187 3/20 0.52
▸ PROC P04070 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ TMPRSS15 P98073 1/20 0.43
▸ ITGB3 P05106 2/20 0.42
▸ ITGA2B P08514 2/20 0.42
▸ F7 P08709 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ F13A1 P00488 1/20 0.41
▸ ESRRB O95718 1/20 0.40
▸ ESRRG P62508 1/20 0.40

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
Hydrochloric Acid SCHEMBL7539002 0.99 ST14 (0.54) ST14F2MASP2PROCPRSS1
Hydrochloric Acid SCHEMBL6365937 0.91 F2 (0.61) ST14F2MASP2PROCPRSS1
SCHEMBL7428892 0.86 ST14 (0.54) ST14F2MASP2PROCPRSS1
Hydrochloric Acid SCHEMBL6365976 0.85 ST14 (0.53) ST14F2MASP2PROCPRSS1
Hydrochloric Acid SCHEMBL6365882 0.81 F2 (0.48) ST14F2MASP2PROC
Hydrochloric Acid SCHEMBL6372032 0.81 ST14 (0.61) ST14F2PRSS1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6366431 0.80 ST14 (0.49) ST14F2MASP2PROCPRSS1
Hydrochloric Acid SCHEMBL6366795 0.80 F2 (0.44) ST14F2MASP2PROCPRSS1
Hydrochloric Acid SCHEMBL6366417 0.79 ST14 (0.46) ST14F2MASP2PRSS1TMPRSS15
Hydrochloric Acid SCHEMBL6365556 0.79 ST14 (0.46) ST14F2MASP2PROCPRSS1

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-1206444-B1 COMPOUNDS THAT INHIBIT TRYPTASE ACTIVITY MORPHOCHEM AG (DE) 2003-11-12 — — EP disclosed
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