SCHEMBL3575573

SCHEMBL3575573

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.36
GBA1 P04062 3/20 0.36
ESRRG P62508 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
ESRRB O95718 1/20 0.34
SSTR2 P30874 3/20 0.34
SSTR4 P31391 3/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
NR1I3 Q14994 1/20 0.34
KDR P35968 1/20 0.33
PTGER2 P43116 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
RPS6KB1 P23443 1/20 0.33
KMT2A Q03164 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
SCHEMBL3584126 0.91 ESRRG (0.36) HSP90AA1GBA1ESRRGNR1H4ESRRB
SCHEMBL3585932 0.91 CCR9 (0.36) HSP90AA1ESRRGNR1H4ESRRBOPRM1
SCHEMBL3576645 0.90 HSP90AA1 (0.37) HSP90AA1ESRRGNR1H4ESRRBOPRM1
SCHEMBL3583608 0.90 ESRRG (0.35) HSP90AA1ESRRGNR1H4ESRRBOPRM1
SCHEMBL9957773 0.87 NR1H4 (0.38) HSP90AA1GBA1ESRRGNR1H4ESRRB
SCHEMBL3570650 0.83 CCR9 (0.41) HSP90AA1ESRRGNR1H4ESRRBNR1I3
SCHEMBL3587153 0.82 ESRRG (0.36) HSP90AA1ESRRGNR1H4ESRRBOPRM1
SCHEMBL3576692 0.82 ESRRG (0.37) HSP90AA1ESRRGNR1H4ESRRBOPRM1
SCHEMBL3584062 0.82 GBA1 (0.34) HSP90AA1GBA1SSTR2SSTR4OPRM1
SCHEMBL3580374 0.81 ESRRG (0.36) HSP90AA1ESRRGNR1H4ESRRBOPRM1

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