SCHEMBL7466993

SCHEMBL7466993

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.46
ADRA2A P08913 3/20 0.46
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TSHR P16473 3/20 0.41
TDP2 O95551 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
HSD17B10 Q99714 1/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
PTPRC P08575 1/20 0.39
S100A4 P26447 1/20 0.39
GPR35 Q9HC97 2/20 0.38
CYP3A4 P08684 1/20 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
SCHEMBL7471003 0.86 PNMT (0.46) PNMTADRA2ALMNAMEN1MAPT
SCHEMBL6181384 0.75 PTPRC (0.47) PNMTADRA2ALMNAMEN1MAPT
SCHEMBL30709850 0.72 PNMT (0.65) PNMTADRA2ALMNAMEN1MAPT
SCHEMBL9483063 0.72 PNMT (0.65) PNMTADRA2ALMNAMEN1MAPT
SCHEMBL7290863 0.71 MEN1 (0.40) LMNAMEN1MAPTRAB9AKMT2A
SCHEMBL7473407 0.70 ALDH1A1 (0.41) PNMTLMNAMEN1MAPTKMT2A
SCHEMBL2083495 0.69 PNMT (0.61) PNMTADRA2ALMNAMEN1MAPT
SCHEMBL1715396 0.69 PNMT (0.61) PNMTADRA2ALMNAMEN1MAPT
SCHEMBL467557 0.68 PNMT (0.59) PNMTADRA2ALMNAMEN1MAPT
SCHEMBL7289953 0.68 MAPT (0.43) LMNAMEN1MAPTRAB9AKMT2A

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