SCHEMBL7467314

SCHEMBL7467314

O=[C]C1c2ccccc2-c2c1cccc2[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.49
PTPRC P08575 1/20 0.49
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
RECQL P46063 1/20 0.44
MCL1 Q07820 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TDP1 Q9NUW8 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
CASP6 P55212 1/20 0.39
PTPN1 P18031 1/20 0.39
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL27405248 0.75 S100A4 (0.49) S100A4PTPRCMAPTKMT2ARECQL
SCHEMBL7465165 0.75 CYP1A2 (0.56) S100A4PTPRCMAPTKMT2AMCL1
SCHEMBL68229 0.73 GPR3 (0.41) S100A4KMT2AALDH1A1CA2CA1
SCHEMBL7478185 0.72 PTPRC (0.49) S100A4PTPRCMAPTKMT2AMCL1
SCHEMBL1559811 0.70 S100A4 (0.75) S100A4PTPRCMAPTKMT2ARECQL
SCHEMBL3039191 0.69 TDP1 (0.67) S100A4PTPRCMAPTKMT2ARECQL
SCHEMBL27694074 0.68 S100A4 (0.77) S100A4PTPRCMAPTKMT2ARECQL
SCHEMBL27694196 0.67 S100A4 (0.74) S100A4PTPRCMAPTKMT2ARECQL
SCHEMBL30535903 0.67 ALDH1A1 (0.74) S100A4PTPRCKMT2ARECQLTDP1
SCHEMBL1287837 0.67 ALDH1A1 (0.74) S100A4PTPRCKMT2ARECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
CN-1052224-C Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 2000-05-10 CN disclosed
US-5760058-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed