SCHEMBL3569329

SCHEMBL3569329

CNc1ncc(Cl)cc1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
F10 P00742 13/20 0.37
KLKB1 P03952 3/20 0.36
CHRNA7 P36544 1/20 0.35
CNR1 P21554 1/20 0.34
KMT2A Q03164 2/20 0.34
MLYCD O95822 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL3579477 0.94 MCHR1 (0.37) C5AR1F10CHRNA7KMT2AMLYCD
SCHEMBL3581889 0.94 C5AR1 (0.40) C5AR1F10KLKB1CHRNA7CNR1
SCHEMBL3574238 0.92 MLYCD (0.35) C5AR1F10KLKB1MLYCD
SCHEMBL3581186 0.89 CNR1 (0.39) C5AR1CNR1KMT2AMEN1
SCHEMBL3574217 0.88 MCHR1 (0.37) C5AR1F10CHRNA7KMT2AMLYCD
SCHEMBL3580332 0.88 C5AR1 (0.35) C5AR1F10KLKB1KMT2AMLYCD
SCHEMBL3587988 0.87 MCHR1 (0.39) F10CHRNA7KMT2AMLYCDMEN1
SCHEMBL3577159 0.85 C5AR1 (0.42) C5AR1F10KLKB1KMT2A
SCHEMBL3577569 0.85 C5AR1 (0.42) C5AR1F10KLKB1CHRNA7KMT2A
SCHEMBL3574969 0.85 C5AR1 (0.39) C5AR1F10KLKB1KMT2AMLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed