SCHEMBL6254936

SCHEMBL6254936

COc1ccc(C2(CNC(=O)C(C)(Cc3ccccc3)Nc3nc(-c4ccc([N+](=O)[O-])cc4)co3)CCCCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NMBR P28336 13/20 0.55
GRPR P30550 13/20 0.55
FPR1 P21462 5/20 0.55
AGTR1 P30556 1/20 0.41
GPR65 Q8IYL9 1/20 0.41
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
FPR2 P25090 2/20 0.36
PSD A5PKW4 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL6251024 1.00 NMBR (0.55) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6255326 0.90 NMBR (0.51) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6810082 0.88 NMBR (0.72) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6252249 0.88 NMBR (0.72) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6251350 0.84 FPR1 (0.43) NMBRGRPRFPR1ALDH1A1MAPT
SCHEMBL6810086 0.81 NMBR (0.62) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6253303 0.81 NMBR (0.62) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6251031 0.80 ALDH1A1 (0.37) NMBRGRPRFPR1ALDH1A1MAPT
SCHEMBL6994303 0.80 ALDH1A1 (0.37) NMBRGRPRFPR1ALDH1A1MAPT
SCHEMBL6253532 0.77 NMBR (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1333824-B1 TREATMENT OF SEXUAL DYSFUNCTION WITH BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-09-07 EP disclosed