SCHEMBL6013898

SCHEMBL6013898

CNC(=O)CN(C)/[N+]([O-])=N\O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
MCL1 Q07820 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL14066119 1.00 CYP3A4 (0.35) CYP3A4ALOX15OPRM1OPRL1MCL1
SCHEMBL4860492 0.76 LMNA (0.36) CYP3A4ALOX15LMNA
SCHEMBL4860473 0.76 LMNA (0.36) CYP3A4ALOX15LMNA
SCHEMBL4860482 0.76 LMNA (0.36) CYP3A4ALOX15LMNA
SCHEMBL14066120 0.76 LMNA (0.36) CYP3A4ALOX15LMNA
SCHEMBL7596531 0.74 LMNA (0.34) CYP3A4ALOX15LMNA
SCHEMBL425466 0.69
SCHEMBL13567026 0.69 MCL1 (0.40) OPRM1OPRL1MCL1LMNAALDH1A1
Hydrochloric Acid SCHEMBL29494595 0.67
SCHEMBL17173842 0.66

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-1666047-A1 Pharmaceutical compositions comprising nitric oxide-releasing pyrrolidones The Government of the United States of America As represented by the Secretary of the Department Of Health and Human Services (US) 2006-06-07 EP disclosed
EP-0793500-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITRIC OXIDE-RELEASING POLYSACCHARIDES US GOV HEALTH & HUMAN SERV (US) 2006-05-03 EP disclosed
US-6379660-B1 BIOPOLYMERS; ADMINISTERING THERAPY DOSAGE; ANTITUMOR AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-04-30 US disclosed
US-6200558-B1 PEPTIDE, POLYPEPTIDE, PROTEIN, OLIGONUCLEOTIDE OR NUCLEIC ACID, TO WHICH IS BOUND A NITRIC OXIDE-RELEASING N2O2-FUNCTIONAL GROUP THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-03-13 US disclosed
US-5700830-A Use of nitric oxide-releasing agents for reducing metastasis risk THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-12-23 US disclosed
US-5632981-A Biopolymer-bound nitric oxide-releasing compositions, pharmaceutical compositions incorporating same and methods of treating biological disorders using same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-05-27 US disclosed