SCHEMBL7448516

SCHEMBL7448516

CNCc1ccc(CNC(=O)N2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 3/20 0.62
▸ TPSD1 Q9BZJ3 1/20 0.62
▸ TPSG1 Q9NRR2 1/20 0.62
▸ KMT2A Q03164 3/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.58
▸ HRH3 Q9Y5N1 4/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ RAB9A P51151 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ SMO Q99835 1/20 0.48
▸ F2 P00734 1/20 0.48
▸ PRSS1 P07477 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ NOS3 P29474 1/20 0.47
▸ NOS1 P29475 1/20 0.47

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
SCHEMBL1669460 0.84 KDM4E (0.55) TPSAB1TPSD1TPSG1KMT2AMEN1
SCHEMBL7958872 0.82 TPSAB1 (0.54) TPSAB1TPSD1TPSG1KMT2AMEN1
SCHEMBL16026436 0.81 NCF1 (0.57) KMT2AMEN1KDM4ETP53LMNA
SCHEMBL27800313 0.78 KDM4E (0.66) TPSAB1KMT2AMEN1KDM4EHRH3
SCHEMBL7424872 0.77 TPSAB1 (0.53) TPSAB1TPSD1TPSG1KMT2AMEN1
SCHEMBL5471150 0.76 MEN1 (0.75) TPSAB1KMT2AMEN1KDM4EHRH3
SCHEMBL14479131 0.76 KDM4E (0.73) TPSAB1KMT2AMEN1KDM4EHRH3
SCHEMBL5465071 0.75 MEN1 (1.00) TPSAB1KMT2AMEN1KDM4EHRH3
SCHEMBL28466660 0.75 MEN1 (0.78) TPSAB1TPSD1TPSG1KMT2AMEN1
SCHEMBL5474021 0.74 MEN1 (0.76) TPSAB1TPSD1TPSG1KMT2AMEN1

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
EP-0934293-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1999-08-11 — — EP disclosed
WO-1998004537-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1998-02-05 — — WO disclosed
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