SCHEMBL3577776

SCHEMBL3577776

CCNc1ncc(F)cc1C(=O)N(CCc1ccc(F)cc1)Cc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
F7 P08709 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
HCRTR1 O43613 4/20 0.34
HCRTR2 O43614 4/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CHRNA7 P36544 1/20 0.33
NLRP3 Q96P20 1/20 0.33
KMT2A Q03164 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 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
SCHEMBL3587988 0.91 MCHR1 (0.39) MCHR1F2F10F7HCRTR1
SCHEMBL3579477 0.84 MCHR1 (0.37) MCHR1F2F10F7CA12
SCHEMBL3583608 0.81 ESRRG (0.35) HCRTR1HCRTR2TP53MAPT
SCHEMBL3583620 0.79 MCHR1 (0.40) MCHR1F2F10F7NLRP3
SCHEMBL3569329 0.78 C5AR1 (0.41) F10CHRNA7KMT2AMEN1MLYCD
SCHEMBL3574217 0.78 MCHR1 (0.37) MCHR1F2F10F7HCRTR1
SCHEMBL3587697 0.75 C5AR1 (0.41) F10CA12CA1CA2CA9
SCHEMBL3574238 0.74 MLYCD (0.35) F10MLYCD
SCHEMBL3585932 0.74 CCR9 (0.36) F10HCRTR1HCRTR2CHRNA7
SCHEMBL3572810 0.74 OPRM1 (0.34) MAPT

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