SCHEMBL7466989

SCHEMBL7466989

O=[N+]([O-])c1ccc2c(c1)CC[CH]2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.47
ADRA2A P08913 2/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
TLR9 Q9NR96 1/20 0.44
TSHR P16473 2/20 0.42
CA9 Q16790 1/20 0.42
TYMS P04818 1/20 0.42
TDP2 O95551 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
STAT3 P40763 1/20 0.41
MTOR P42345 1/20 0.41
HIF1A Q16665 1/20 0.41
ADRA2B P18089 1/20 0.41

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
SCHEMBL7470998 0.85 PNMT (0.47) PNMTADRA2AMEN1KMT2ALMNA
SCHEMBL1779718 0.82 PNMT (0.45) PNMTADRA2AMEN1KMT2ALMNA
SCHEMBL6181379 0.75 PTPRC (0.50) PNMTADRA2AMEN1KMT2ALMNA
SCHEMBL30709850 0.74 PNMT (0.65) PNMTADRA2AMEN1KMT2ALMNA
SCHEMBL9483063 0.74 PNMT (0.65) PNMTADRA2AMEN1KMT2ALMNA
SCHEMBL7290860 0.74 CA9 (0.42) MEN1KMT2ALMNARAB9AMAPT
SCHEMBL28282665 0.74 PNMT (0.44) PNMTADRA2AMEN1KMT2ALMNA
SCHEMBL23174894 0.71 PNMT (0.45) PNMTADRA2AMEN1KMT2ALMNA
SCHEMBL3442079 0.71 CA9 (0.47) PNMTADRA2AMEN1KMT2ALMNA
SCHEMBL2083495 0.71 PNMT (0.61) PNMTADRA2AMEN1KMT2ALMNA

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