SCHEMBL7108264

SCHEMBL7108264

CCCC(c1cccnc1)c1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
GOPC Q9HD26 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TBXAS1 P24557 1/20 0.38
KCNA5 P22460 5/20 0.38
KCNN4 O15554 1/20 0.38
PDE4D Q08499 1/20 0.38
KCNH2 Q12809 2/20 0.38
F2RL1 P55085 2/20 0.37
KDM4E B2RXH2 1/20 0.37
FPR2 P25090 1/20 0.37
CYP19A1 P11511 1/20 0.36
ADRB3 P13945 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL953334 0.86 CHRM2 (0.43) SLC6A2SLC6A4F2RL1FPR2
SCHEMBL7762331 0.83 HRH1 (0.42) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL6953526 0.82 CFTR (0.46) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL6954460 0.82 CFTR (0.46) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL659775 0.81 CFTR (0.53) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL8088802 0.79 FPR2 (0.43) SMN1; SMN2F2RL1FPR2CYP19A1
SCHEMBL23970158 0.78 TBXAS1 (0.56) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL1381367 0.76 CFTR (0.53) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL4642031 0.74 FPR2 (0.39) F2RL1FPR2CYP19A1
SCHEMBL954734 0.73 CHRM2 (0.45) SLC6A2SLC6A4LMNAF2RL1

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-1345953-A2 KETOLIDE ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2003-09-24 EP disclosed
WO-2002032918-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-04-25 WO disclosed