SCHEMBL6986647

SCHEMBL6986647

CC(=O)N1CCN(C(=O)c2cc(-c3ccc(=O)n(C(C)C)n3)n(-c3ccccc3)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 13/20 0.50
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
NTRK1 P04629 1/20 0.41
PTGS2 P35354 2/20 0.40
MALT1 Q9UDY8 1/20 0.40
RPA1 P27694 1/20 0.39

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
SCHEMBL6986823 0.92 MGLL (0.60) MGLLNTRK1PTGS2MALT1
SCHEMBL6988945 0.92 MGLL (0.49) MGLLPTGS2MALT1RPA1
SCHEMBL7090364 0.91 MGLL (0.48) MGLLPTGS2MALT1RPA1
SCHEMBL6988238 0.86 MGLL (0.51) MGLL
SCHEMBL6986113 0.86 AGTR2 (0.41) MGLL
SCHEMBL6986523 0.81 HTT (0.42)
SCHEMBL6988584 0.80 USP2 (0.43) MGLL
SCHEMBL7141579 0.80 CACNB4 (0.47) MGLL
SCHEMBL6986371 0.77 ALDH1A1 (0.41) RPA1
SCHEMBL6985626 0.76 SLC5A1 (0.43)

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-1313733-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP disclosed
WO-2002018382-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 WO disclosed