SCHEMBL7149060

SCHEMBL7149060

CC(NC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)NCC1(c2ccccn2)CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NMBR P28336 14/20 0.57
GRPR P30550 7/20 0.57
FPR2 P25090 5/20 0.52
FPR1 P21462 3/20 0.52
AGTR1 P30556 1/20 0.44
GPR65 Q8IYL9 1/20 0.44

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
SCHEMBL6255988 0.74 FPR2 (0.44) NMBRGRPRFPR2FPR1
SCHEMBL6251051 0.73 NMBR (1.00) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL7149063 0.73 TRPV1 (0.46) FPR2
SCHEMBL1492709 0.70 WNT3A (0.50) NMBRGRPRFPR2FPR1
SCHEMBL13328404 0.70 NMBR (0.64) NMBR
SCHEMBL6180757 0.69 SLC6A9 (0.49) NMBRGRPR
SCHEMBL2731250 0.68 TRPV1 (0.61)
SCHEMBL6253853 0.68 FPR2 (0.48) NMBRGRPRFPR2FPR1
SCHEMBL7204980 0.67 FPR2 (0.66) NMBRGRPRFPR2FPR1AGTR1
SCHEMBL20379672 0.67 NPC1 (0.72)

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-1343498-A1 NOVEL USES OF NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS FOR TREATING ANXIETY AND PANIC DISORDERS Warner-Lambert Company LLC (US) 2003-09-17 EP disclosed
WO-2002049644-A1 NOVEL USES OF NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS FOR TREATING ANXIETY AND PANIC DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2002-06-27 WO disclosed