SCHEMBL6254898

SCHEMBL6254898

Cc1ccc(S(=O)(=O)N[C@@](C)(Cc2c[nH]c3ccccc23)C(=O)NCC2(c3ccccn3)CCCCC2)cc1O

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NMBR P28336 18/20 0.65
GRPR P30550 16/20 0.65
FPR1 P21462 3/20 0.61
AGTR1 P30556 1/20 0.61
GPR65 Q8IYL9 1/20 0.61
FPR2 P25090 2/20 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
SCHEMBL6250081 0.93 NMBR (0.66) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6252606 0.91 NMBR (0.70) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6250567 0.91 NMBR (0.65) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6251905 0.91 NMBR (0.65) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6253658 0.90 NMBR (0.73) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6249989 0.90 NMBR (0.70) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6252001 0.89 NMBR (0.77) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6252267 0.89 NMBR (0.69) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6251857 0.89 NMBR (0.69) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6250037 0.89 NMBR (0.63) 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 claimed