SCHEMBL3583612

SCHEMBL3583612

CNc1ccc(Cl)cc1C(=O)N(CCc1ccc(F)cc1)Cc1ccc(C2CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
NLRP3 Q96P20 1/20 0.39
C5AR1 P21730 2/20 0.39
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
SLC2A1 P11166 1/20 0.37
MCHR1 Q99705 3/20 0.36
SERPINE1 P05121 2/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
F7 P08709 1/20 0.36
CCR1 P32246 1/20 0.36
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
CCR3 P51677 1/20 0.35

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
SCHEMBL3581049 0.94 C5AR1 (0.43) KDM4EGAAC5AR1ALDH1A1GLA
SCHEMBL3576623 0.85 LMNA (0.41) LMNAC5AR1SLC2A1CCR1CYP2D6
SCHEMBL3583688 0.85 C5AR1 (0.42) C5AR1SERPINE1F10CCR1LPAR1
SCHEMBL3583345 0.84 C5AR1 (0.40) C5AR1ALDH1A1MCHR1SERPINE1CCR1
SCHEMBL4614116 0.83 ALDH1A1 (0.33) KDM4EGAANLRP3C5AR1ALDH1A1
SCHEMBL3583320 0.83 CNR1 (0.41) C5AR1SLC2A1LPAR1LPAR5
SCHEMBL3586383 0.83 NLRP3 (0.39) KDM4EGAALMNANLRP3C5AR1
SCHEMBL3569645 0.82 CCR9 (0.43) KDM4EGAANLRP3C5AR1ALDH1A1
SCHEMBL3577563 0.82 NLRP3 (0.42) KDM4EGAANLRP3C5AR1ALDH1A1
SCHEMBL3569717 0.82 LMNA (0.40) LMNAC5AR1CCR1CYP2D6

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 4 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
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed