SCHEMBL7488493

SCHEMBL7488493

COC(=O)C1CCN(c2cc(OC)cc(NCc3ccccc3)c2[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.48
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SIRT6 Q8N6T7 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL7478690 0.81 MAPT (0.49) MAPTMEN1KMT2AGAAHTT
SCHEMBL1844417 0.70 MAPT (0.65) MAPTHTTALDH1A1NPSR1SIRT6
SCHEMBL4971357 0.68 MAPT (0.48) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL30344994 0.68 MAPT (0.58) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL23997214 0.68 MAPT (0.58) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL1845533 0.68 MAPT (0.74) MAPTGAAHTTALDH1A1NPSR1
SCHEMBL31066783 0.67 SIRT6 (0.43) MAPTKMT2AL3MBTL1HTTALDH1A1
SCHEMBL21291603 0.67 SIRT6 (0.43) MAPTKMT2AL3MBTL1HTTALDH1A1
SCHEMBL22712825 0.67 SIRT6 (0.60) MAPTMEN1KMT2AL3MBTL1HTT
SCHEMBL6474847 0.67 HTR6 (0.58) MAPTMEN1KMT2AL3MBTL1GAA

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-0865281-B1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LAB (US) 2002-04-03 — — EP disclosed
US-5849759-A Naphthyl-substituted benzimidazole derivatives as anti-coagulants BERLEX LABORATORIES, INC. (US) 1998-12-15 — — US disclosed
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