SCHEMBL7469082

SCHEMBL7469082

O=Cc1c([N+](=O)[O-])ccc2c1C(=O)c1ccccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53
CASP6 P55212 1/20 0.53
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 3/20 0.50
TP53 P04637 2/20 0.50
HIF1A Q16665 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
STAT6 P42226 1/20 0.50
PHLPP2 Q6ZVD8 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTPRC P08575 3/20 0.49
S100A4 P26447 3/20 0.49
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45

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
SCHEMBL7465333 0.86 S100A4 (0.56) MAPTPOLBAPEX1CASP6ALDH1A1
SCHEMBL630898 0.79 ALDH1A1 (0.59) MAPTPOLBAPEX1CASP6ALDH1A1
SCHEMBL5109566 0.77 MAPT (0.79) MAPTPOLBAPEX1CASP6ALDH1A1
SCHEMBL161290 0.76 S100A4 (0.73) MAPTPOLBAPEX1CASP6ALDH1A1
SCHEMBL2983469 0.76 PTPRC (0.57) MAPTPOLBAPEX1CASP6ALDH1A1
SCHEMBL7469071 0.75 MAPT (0.53) MAPTPOLBAPEX1CASP6ALDH1A1
SCHEMBL7464260 0.75 S100A4 (0.57) MAPTPOLBAPEX1CASP6ALDH1A1
SCHEMBL8055705 0.73 ADORA2A (0.47) MAPTPOLBAPEX1ALDH1A1CYP3A4
SCHEMBL32670296 0.73 S100A4 (0.79) MAPTPOLBAPEX1CASP6ALDH1A1
SCHEMBL6364877 0.73 S100A4 (0.79) MAPTPOLBAPEX1CASP6ALDH1A1

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