SCHEMBL6180744

SCHEMBL6180744

CC(Cc1ccccc1[N+](=O)[O-])(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NC(c1ccccn1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NMBR P28336 16/20 0.48
GRPR P30550 16/20 0.48
FPR1 P21462 2/20 0.48
AGTR1 P30556 1/20 0.48
GPR65 Q8IYL9 1/20 0.48
EPHX1 P07099 1/20 0.41
KDR P35968 1/20 0.39
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6179976 0.88 NMBR (0.65) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6254953 0.87 NMBR (0.49) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6917827 0.83 NMBR (0.41) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6181113 0.78 NMBR (0.53) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6251923 0.78 NMBR (0.51) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL7192683 0.78 NMBR (0.67) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6250491 0.77 NMBR (0.52) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6180474 0.76 NMBR (0.78) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6184335 0.76 NMBR (0.64) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6181252 0.75 NMBR (0.64) NMBRGRPRFPR1AGTR1GPR65

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920424-B1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-11-30 EP claimed
US-6194437-B1 ANTIDEPRESSANTS; ANTICANCER AGENTS; GASTROINTESTINAL DISORDERS; COGNITION ACTIVATORS WARNER-LAMBERT COMPANY 2001-02-27 US claimed
EP-0920424-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-06-09 EP claimed
WO-1998007718-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-02-26 WO claimed
EP-0920424-B1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-11-30 EP disclosed