SCHEMBL3585932

SCHEMBL3585932

CCNc1ncc(Cl)cc1C(=O)N(CCc1ccc(Cl)c(Cl)c1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 2/20 0.36
ESRRG P62508 2/20 0.36
NR1H4 Q96RI1 1/20 0.36
HSP90AA1 P07900 2/20 0.35
ESRRB O95718 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
NR1I3 Q14994 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
RPS6KB1 P23443 1/20 0.33
C5AR1 P21730 1/20 0.33
GRM5 P41594 1/20 0.33
MAPK1 P28482 1/20 0.33
CNR1 P21554 1/20 0.33
IKBKB O14920 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
F10 P00742 1/20 0.33
CHRNA7 P36544 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
SCHEMBL3576645 0.92 HSP90AA1 (0.37) ESRRGNR1H4HSP90AA1ESRRBOPRM1
SCHEMBL3570650 0.91 CCR9 (0.41) CCR9ESRRGNR1H4HSP90AA1ESRRB
SCHEMBL3575573 0.91 HSP90AA1 (0.36) ESRRGNR1H4HSP90AA1ESRRBOPRM1
SCHEMBL3583608 0.91 ESRRG (0.35) ESRRGNR1H4HSP90AA1ESRRBOPRM1
SCHEMBL3576692 0.91 ESRRG (0.37) CCR9ESRRGNR1H4HSP90AA1ESRRB
SCHEMBL3580209 0.87 MCHR1 (0.40) CCR9ESRRGNR1H4ESRRBOPRM1
SCHEMBL3581265 0.87 NR1H4 (0.39) CCR9ESRRGNR1H4HSP90AA1ESRRB
SCHEMBL3587153 0.84 ESRRG (0.36) ESRRGNR1H4HSP90AA1ESRRBOPRM1
SCHEMBL3580374 0.83 ESRRG (0.36) CCR9ESRRGNR1H4HSP90AA1ESRRB
SCHEMBL1397638 0.82 HCRTR1 (0.37) CCR9NR1I3HCRTR1HCRTR2

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