SCHEMBL7092916

SCHEMBL7092916

CC[C@@](Cc1c[nH]c2ccccc12)(Nc1nc(-c2ccccc2)co1)C(=O)NCC1(c2ccc(OC)cn2)CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NMBR P28336 11/20 0.54
GRPR P30550 10/20 0.54
FPR1 P21462 6/20 0.54
FPR2 P25090 6/20 0.53
AGTR1 P30556 1/20 0.41
GPR65 Q8IYL9 1/20 0.41

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
SCHEMBL6253303 0.92 NMBR (0.62) NMBRGRPRFPR1FPR2AGTR1
SCHEMBL6810086 0.92 NMBR (0.62) NMBRGRPRFPR1FPR2AGTR1
SCHEMBL6253532 0.86 NMBR (0.58) NMBRGRPRFPR1FPR2AGTR1
SCHEMBL6810082 0.85 NMBR (0.72) NMBRGRPRFPR1FPR2AGTR1
SCHEMBL6252249 0.85 NMBR (0.72) NMBRGRPRFPR1FPR2AGTR1
SCHEMBL6251562 0.83 NMBR (0.63) NMBRGRPRFPR1FPR2AGTR1
SCHEMBL6251350 0.81 FPR1 (0.43) NMBRGRPRFPR1FPR2
SCHEMBL7092917 0.81 FPR1 (0.37) NMBRGRPRFPR1FPR2
SCHEMBL6255724 0.80 NMBR (0.67) NMBRGRPRFPR1FPR2AGTR1
SCHEMBL6254936 0.74 NMBR (0.55) NMBRGRPRFPR1FPR2AGTR1

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-1334102-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2003-08-13 EP disclosed
WO-2002040475-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 WO disclosed