SCHEMBL6780394

SCHEMBL6780394

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.47
EPHX2 P34913 2/20 0.42
NR1H4 Q96RI1 1/20 0.41
MCHR1 Q99705 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
TLR7 Q9NYK1 2/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6773275 0.94 TRPV1 (0.43) TRPV1EPHX2NR1H4MCHR1HDAC3
SCHEMBL6773364 0.88 RXFP1 (0.43) EPHX2MCHR1HDAC3HDAC1TLR7
SCHEMBL6771355 0.88 POLB (0.47) TLR7MAPT
SCHEMBL6768729 0.87 TLR7 (0.47) TLR7MAPT
SCHEMBL6773253 0.86 GAA (0.41) MAPT
SCHEMBL6774657 0.84 MAPT (0.49) TLR7MAPT
SCHEMBL6768544 0.83 NPC1 (0.49) HDAC3HDAC1MAPT
SCHEMBL6772992 0.83 HDAC3 (0.40) EPHX2MCHR1HDAC3HDAC1TLR7
SCHEMBL6774530 0.83 TRPV1 (0.42) TRPV1EPHX2MCHR1HDAC3HDAC1
SCHEMBL6779678 0.82 NPY5R (0.40)

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-6720333-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; N-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)BENZAMIDE 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed