SCHEMBL7138683

SCHEMBL7138683

CS(=O)(=O)[C@@](N)(Cc1c[nH]c2ccccc12)C(=O)NCC1(c2ccccn2)CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NMBR P28336 16/20 0.66
GRPR P30550 14/20 0.66
FPR1 P21462 4/20 0.60
AGTR1 P30556 1/20 0.60
GPR65 Q8IYL9 1/20 0.60
FPR2 P25090 4/20 0.52

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
SCHEMBL6250547 0.89 NMBR (0.71) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6250550 0.89 NMBR (0.71) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6250730 0.87 NMBR (0.74) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6249989 0.83 NMBR (0.70) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6250000 0.82 NMBR (0.70) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6250486 0.82 NMBR (0.70) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6252074 0.82 NMBR (0.71) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6814542 0.81 NMBR (0.66) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6250696 0.81 NMBR (0.66) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6249779 0.81 NMBR (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334100-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2003-08-13 EP disclosed
WO-2002040469-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 WO disclosed