SCHEMBL3583608

SCHEMBL3583608

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CENPE Q02224 9/20 0.34
ESRRB O95718 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
NR1I3 Q14994 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 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
SCHEMBL3585932 0.91 CCR9 (0.36) ESRRGNR1H4HSP90AA1ESRRBOPRM1
SCHEMBL3574285 0.91 ESRRG (0.36) ESRRGNR1H4TP53MAPTHSP90AA1
SCHEMBL3576645 0.90 HSP90AA1 (0.37) ESRRGNR1H4HSP90AA1ESRRBOPRM1
SCHEMBL3575573 0.90 HSP90AA1 (0.36) ESRRGNR1H4HSP90AA1ESRRBOPRM1
SCHEMBL3576972 0.87 BTK (0.36) ESRRGNR1H4TP53MAPTCENPE
SCHEMBL9958256 0.87 NR1H4 (0.38) ESRRGNR1H4TP53MAPTCENPE
SCHEMBL3572810 0.85 OPRM1 (0.34) MAPTCENPEOPRM1OPRD1
SCHEMBL3570650 0.83 CCR9 (0.41) ESRRGNR1H4HSP90AA1ESRRBNR1I3
SCHEMBL3587153 0.82 ESRRG (0.36) ESRRGNR1H4TP53MAPTHSP90AA1
SCHEMBL3576692 0.82 ESRRG (0.37) ESRRGNR1H4HSP90AA1ESRRBOPRM1

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