SCHEMBL3576972

SCHEMBL3576972

CC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(Cl)c2)C(=O)c2cc(F)cnc2NC2CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.36
GPR6 P46095 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MELK Q14680 4/20 0.34
CRHR1 P34998 2/20 0.34
THRB P10828 1/20 0.34
CENPE Q02224 4/20 0.33
ESRRG P62508 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
ESRRB O95718 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
SCHEMBL3580209 0.92 MCHR1 (0.40) BTKHDAC3HDAC8HDAC6MELK
SCHEMBL3574285 0.89 ESRRG (0.36) CENPEESRRGTP53MAPTNR1H4
SCHEMBL3583608 0.87 ESRRG (0.35) CENPEESRRGTP53MAPTNR1H4
SCHEMBL3583661 0.87 BTK (0.41) BTKHDAC3HDAC8HDAC6CRHR1
SCHEMBL9958256 0.85 NR1H4 (0.38) THRBCENPEESRRGTP53MAPT
SCHEMBL3579944 0.84 MCHR1 (0.39) GPR6CRHR1OPRM1OPRD1
SCHEMBL3586536 0.82 MCHR1 (0.37) BTKHDAC3HDAC8HDAC6CRHR1
SCHEMBL3572867 0.80 MEN1 (0.38) HDAC3HDAC8HDAC6ESRRGNR1H4
SCHEMBL3576692 0.80 ESRRG (0.37) ESRRGNR1H4OPRM1OPRD1ESRRB
SCHEMBL3580374 0.79 ESRRG (0.36) HDAC3HDAC8HDAC6ESRRGTP53

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