SCHEMBL3581889

SCHEMBL3581889

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
F10 P00742 14/20 0.36
KLKB1 P03952 3/20 0.36
CHRNA7 P36544 1/20 0.34
CNR1 P21554 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CRHR1 P34998 1/20 0.33

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
SCHEMBL3574217 0.95 MCHR1 (0.37) C5AR1F10CHRNA7MEN1KMT2A
SCHEMBL3580332 0.95 C5AR1 (0.35) C5AR1F10KLKB1MEN1KMT2A
SCHEMBL3569329 0.94 C5AR1 (0.41) C5AR1F10KLKB1CHRNA7CNR1
SCHEMBL3583456 0.90 CNR1 (0.38) C5AR1CNR1MEN1KMT2A
SCHEMBL3579477 0.88 MCHR1 (0.37) C5AR1F10CHRNA7MEN1KMT2A
SCHEMBL3571746 0.87 SLC2A1 (0.41) CNR1MEN1KMT2A
SCHEMBL3582130 0.87 CNR1 (0.40) CNR1
SCHEMBL3574238 0.85 MLYCD (0.35) C5AR1F10KLKB1
SCHEMBL3571491 0.85 C5AR1 (0.42) C5AR1F10KLKB1
SCHEMBL3577569 0.85 C5AR1 (0.42) C5AR1F10KLKB1CHRNA7MEN1

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
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