SCHEMBL7468554

SCHEMBL7468554

[CH2]CCCCCOc1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.61
CHRNA4 P43681 2/20 0.61
HPGD P15428 2/20 0.56
LMNA P02545 2/20 0.56
LTA4H P09960 1/20 0.48
PTGS2 P35354 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.47
MAOB P27338 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL8778512 1.00 CHRNB2 (0.61) CHRNB2CHRNA4HPGDLMNALTA4H
SCHEMBL3024102 0.98 CHRNB2 (0.62) CHRNB2CHRNA4HPGDLMNALTA4H
SCHEMBL441388 0.94 CHRNB2 (0.64) CHRNB2CHRNA4HPGDLMNALTA4H
SCHEMBL14028449 0.92 CHRNB2 (0.69) CHRNB2CHRNA4HPGDLMNALTA4H
SCHEMBL73974 0.89 CHRNB2 (0.66) CHRNB2CHRNA4HPGDLMNALTA4H
SCHEMBL3977089 0.88 CHRNB2 (0.64) CHRNB2CHRNA4HPGDLMNALTA4H
SCHEMBL15498199 0.85 CHRNB2 (0.73) CHRNB2CHRNA4HPGDLMNALTA4H
SCHEMBL4343371 0.85 CHRNB2 (0.61) CHRNB2CHRNA4HPGDLMNALTA4H
SCHEMBL31087900 0.85 CHRNB2 (0.61) CHRNB2CHRNA4HPGDLMNALTA4H
SCHEMBL8955653 0.85 CHRNB2 (0.61) CHRNB2CHRNA4HPGDLMNALTA4H

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 8 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
CN-1104412-A Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 1995-06-28 CN 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