SCHEMBL6179976

SCHEMBL6179976

CC(Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NC(c1ccccn1)C1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NMBR P28336 20/20 0.65
GRPR P30550 19/20 0.65
FPR1 P21462 2/20 0.65
AGTR1 P30556 1/20 0.65
GPR65 Q8IYL9 1/20 0.65

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
SCHEMBL6181113 0.91 NMBR (0.53) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6250491 0.90 NMBR (0.52) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL7192683 0.90 NMBR (0.67) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6184335 0.89 NMBR (0.64) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6181252 0.88 NMBR (0.64) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6254317 0.88 NMBR (0.50) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6180744 0.88 NMBR (0.48) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6253551 0.88 NMBR (0.49) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL7193534 0.88 NMBR (0.49) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6250373 0.87 TACR1 (0.53) 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