SCHEMBL6773439

SCHEMBL6773439

Cc1nc(N)c2ncn(CCCCNC(=O)c3ccc(OC(F)(F)F)cc3)c2c1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.44
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
PPARD Q03181 2/20 0.42
MCHR1 Q99705 2/20 0.40
BRD4 O60885 2/20 0.40
TLR7 Q9NYK1 1/20 0.40
HDAC2 Q92769 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GCGR P47871 1/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL6774052 0.87 POLB (0.43) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL6768483 0.85 DRD3 (0.44) HDAC3HDAC1TLR7HDAC2NPC1
SCHEMBL13937489 0.84 TRPV1 (0.47) TRPV1HDAC3HDAC1PPARDBRD4
SCHEMBL6777208 0.83 DRD2 (0.41)
SCHEMBL6773548 0.83 HDAC3 (0.49) HDAC3HDAC1HDAC2
SCHEMBL6773275 0.82 TRPV1 (0.43) TRPV1HDAC3HDAC1PPARDMCHR1
SCHEMBL6773542 0.82 TP53BP1 (0.48) HDAC3HDAC1TLR7HDAC2
SCHEMBL6772103 0.81 MCHR1 (0.51) MCHR1NPC1RAB9A
SCHEMBL6780394 0.80 TRPV1 (0.47) TRPV1HDAC3HDAC1MCHR1TLR7
SCHEMBL6098139 0.79 DYRK1A (0.37)

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
CN-100387597-C Amido-substituted imidazopyridines 3M INNOVATIVE PROPERTIES CO (US) 2008-05-14 CN claimed
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