SCHEMBL7478690

SCHEMBL7478690

CCOC(=O)C1CCN(c2cc(F)cc(NCc3ccccc3)c2[N+](=O)[O-])CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ TP53 P04637 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.48
▸ CTSB P07858 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ GAA P10253 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.44
▸ PKM P14618 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ LGMN Q99538 1/20 0.43
▸ GPR119 Q8TDV5 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CCR8 P51685 1/20 0.42

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
SCHEMBL7488493 0.81 MAPT (0.48) MAPTHTTALDH1A1KMT2AGAA
SCHEMBL7475373 0.81 MAPT (0.56) MAPTTP53HTTALDH1A1CTSB
SCHEMBL1844417 0.79 MAPT (0.65) MAPTTP53HTTALDH1A1NPSR1
SCHEMBL1673740 0.74 GPR119 (0.61) MAPTALDH1A1GAAHPGDGPR119
SCHEMBL3435055 0.73 MAPT (0.74) MAPTTP53HTTALDH1A1CTSB
SCHEMBL3435047 0.72 MAPT (0.69) MAPTTP53HTTALDH1A1CTSB
SCHEMBL7718560 0.72 PTPN11 (0.54) MAPTTP53HTTALDH1A1CTSB
SCHEMBL38658843 0.71 MAPT (0.65) MAPTTP53HTTALDH1A1CTSB
SCHEMBL2390380 0.71 MAPT (0.63) MAPTHTTALDH1A1KMT2APKM
SCHEMBL12733779 0.70 GPR119 (0.62) MAPTALDH1A1CTSBGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865281-B1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LAB (US) 2002-04-03 — — EP disclosed
EP-0865281-A4 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LAB (US) 1999-07-28 — — EP disclosed
US-5849759-A Naphthyl-substituted benzimidazole derivatives as anti-coagulants BERLEX LABORATORIES, INC. (US) 1998-12-15 — — US disclosed
EP-0865281-A1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LABORATORIES, INC. (US) 1998-09-23 — — EP disclosed
WO-1997021437-A1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LABORATORIES, INC. (DE) 1997-06-19 — — WO disclosed
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