SCHEMBL7469738

SCHEMBL7469738

O=[N+]([O-])C1C[CH]c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
CA2 P00918 1/20 0.31
GSR P00390 1/20 0.31

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
SCHEMBL8938645 0.83 GAA (0.34) GAARAB9AKMT2AMAPK1NPSR1
SCHEMBL10571428 0.81 MAPT (0.36) GAARAB9AKMT2AMAPK1NPSR1
SCHEMBL30150914 0.67 IDO1 (0.44) RAB9AKMT2AALDH1A1MEN1CA2
SCHEMBL2115194 0.67 IDO1 (0.44) RAB9AKMT2AALDH1A1MEN1CA2
SCHEMBL7798148 0.65 SLC6A2 (0.39) GAARAB9AKMT2AMAPK1NPSR1
SCHEMBL1450862 0.64 MAOA (0.33) GAAKMT2AMEN1
SCHEMBL7467393 0.64 HTR2A (0.38) KMT2AALDH1A1MEN1MAPT
SCHEMBL4436919 0.64 CYP19A1 (0.38) ALDH1A1MAPT
SCHEMBL2773405 0.64 ALDH1A1 (0.49) KMT2AALDH1A1MEN1
SCHEMBL12825172 0.64 KMT2A (0.36) GAARAB9AKMT2AMAPK1NPSR1

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