SCHEMBL7423532

SCHEMBL7423532

N=C(N)c1ccc2cc(C(=O)NCc3ccc(OCCOc4ccc(CNC(=O)c5ccc6cc(C(=N)N)ccc6c5)cc4)cc3)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.54
DRD3 P35462 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
NR1H4 Q96RI1 1/20 0.53
PRSS1 P07477 5/20 0.53
KLKB1 P03952 5/20 0.53
PLAU P00749 4/20 0.53
PLG P00747 3/20 0.53
PLAT P00750 3/20 0.53
F2 P00734 2/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52

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
SCHEMBL7983619 0.90 F10 (0.57) DRD2DRD3HRH3PRSS1KLKB1
SCHEMBL7986010 0.89 PRSS1 (0.63) DRD3HRH3NR1H4PRSS1PLAU
SCHEMBL7972021 0.86 F10 (0.56) DRD2DRD3HRH3PRSS1KLKB1
SCHEMBL7392566 0.86 F10 (0.56) DRD2DRD3HRH3PRSS1KLKB1
SCHEMBL7972008 0.85 F10 (0.62) DRD2DRD3HRH3PRSS1KLKB1
SCHEMBL23751141 0.85 NR1H4 (0.72) NR1H4PRSS1KLKB1PLAUPLG
SCHEMBL7982578 0.85 TMPRSS2 (0.64) DRD3HRH3PRSS1PLAUPLG
SCHEMBL7419632 0.85 PRSS1 (0.64) DRD3HRH3PRSS1PLAUPLG
SCHEMBL7425136 0.85 PRSS1 (0.57) PRSS1PLAUF2F10LOX
SCHEMBL7989809 0.85 PRSS1 (0.57) PRSS1PLAUF2F10LOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6221914-B1 ANTIINFLAMMATORY AGENTS ARRAY BIOPHARMA INC. 2001-04-24 US disclosed
WO-1999024395-A1 COMPOUNDS WHICH INHIBIT TRYPTASE ACTIVITY ARRAY BIOPHARMA, INC. (US) 1999-05-20 WO disclosed