SCHEMBL6777386

SCHEMBL6777386

Cc1nc(N)c2nc(C)n(CCCNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c2c1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
HTR7 P34969 8/20 0.41
HTR2A P28223 7/20 0.41
HTR6 P50406 7/20 0.41
DRD2 P14416 6/20 0.41
NPY5R Q15761 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL6779678 0.94 NPY5R (0.40) CCR1HTR7HTR2AHTR6DRD2
SCHEMBL6774423 0.84 TLR7 (0.41) HTR7L3MBTL1ALDH1A1PKMHTR1A
SCHEMBL6774446 0.84 ALDH1A1 (0.46) HTR7L3MBTL1ALDH1A1PKM
SCHEMBL6779818 0.83 POLB (0.48) HTR7HTR2AHTR6DRD2NPY5R
SCHEMBL6778198 0.83 CA1 (0.40) CCR1HTR7NPY5RALDH1A1
SCHEMBL6773275 0.83 TRPV1 (0.43)
SCHEMBL6777208 0.82 DRD2 (0.41) CCR1HTR7HTR2AHTR6DRD2
SCHEMBL6779264 0.80 ALDH1A1 (0.41) HTR7HTR2AHTR6DRD2ALDH1A1
SCHEMBL6780037 0.80 CYP3A4 (0.40) L3MBTL1ALDH1A1
SCHEMBL6773797 0.79 KMT2A (0.43) HTR7L3MBTL1ALDH1A1PKM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696465-B2 INDUCING BIOSYNTHESIS OF CYTOKINES; VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-02-24 US claimed