SCHEMBL7476953

SCHEMBL7476953

O=[N+]([O-])C1[C]Cc2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.32
HTR2A P28223 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
GAA P10253 3/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 3/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 2/20 0.31
ACP3 P15309 1/20 0.31
MAPT P10636 1/20 0.30
CA2 P00918 1/20 0.30
GSR P00390 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL3391875 0.75 MEN1 (0.35) ANPEPHTR2AALDH1A1KDM4EHTR2C
SCHEMBL28454918 0.67 HTR2A (0.48) ANPEPHTR2AHTR2C
SCHEMBL6763553 0.66 HTR2A (0.37) ANPEPHTR2AHTR2CACP3
SCHEMBL7472084 0.66 HTR2A (0.46) ANPEPHTR2AHTR2C
SCHEMBL6613669 0.66 HTR2A (0.37) ANPEPHTR2AHTR2CACP3
SCHEMBL2115194 0.65 IDO1 (0.44) ALDH1A1KDM4ERAB9AKMT2AMEN1
SCHEMBL30150914 0.65 IDO1 (0.44) ALDH1A1KDM4ERAB9AKMT2AMEN1
SCHEMBL6689884 0.64 KDM1A (0.39) HTR2AHTR2CHTR2BHRH3GAA
SCHEMBL5500714 0.63 IDO1 (0.38) ANPEPALDH1A1KDM4EKMT2AMEN1
Bromide SCHEMBL10516995 0.63 CYP2D6 (0.36) ALDH1A1KDM4EKMT2AMAPK1NPSR1

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 6 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
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