SCHEMBL7056752

SCHEMBL7056752

COc1cc(NC(=O)c2ccc(Br)cc2)ccc1OCCC1CCCN1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.52
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR2C P28335 1/20 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
SCHEMBL6803867 0.79 MCHR1 (0.78) MCHR1HTR2C
SCHEMBL4201146 0.79 MAPK1 (0.54)
SCHEMBL4778597 0.78 NPSR1 (0.37) MCHR1ALDH1A1TP53
SCHEMBL6646105 0.77 MCHR1 (0.52) MCHR1ALDH1A1TP53HTR2C
SCHEMBL7407460 0.77 HTR1D (0.70) MCHR1ALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL6648384 0.77 HTT (0.48) NPC1ALDH1A1TP53RAB9A
SCHEMBL4256379 0.77 NPC1 (0.76) NPC1ALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL6646036 0.76 MCHR1 (0.53) MCHR1
SCHEMBL6645493 0.76 MCHR1 (0.53) MCHR1
SCHEMBL4263220 0.76 CHEK2 (0.54) NPC1RAB9A

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-1305304-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF A HUMAN 11CBY RECEPTOR SMITHKLINE BEECHAM PLC (GB) 2003-05-02 EP disclosed
WO-2002010146-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF A HUMAN 11CBY RECEPTOR SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-07 WO disclosed