SCHEMBL3581537

SCHEMBL3581537

CNc1ccc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)n1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 5/20 0.42
HCRTR1 O43613 14/20 0.42
HCRTR2 O43614 14/20 0.42
CCR9 P51686 1/20 0.38

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
SCHEMBL3584236 0.87 HCRTR1 (0.42) PTGER2HCRTR1HCRTR2
SCHEMBL3581366 0.85 HCRTR1 (0.38) PTGER2HCRTR1HCRTR2CCR9
SCHEMBL3576868 0.85 HCRTR1 (0.42) HCRTR1HCRTR2CCR9
SCHEMBL3575609 0.84 LMNA (0.43)
SCHEMBL3584396 0.83 C5AR1 (0.44) CCR9
SCHEMBL3575555 0.83 F10 (0.42) HCRTR1HCRTR2CCR9
SCHEMBL12521105 0.82 PTGER2 (0.41) PTGER2HCRTR1HCRTR2
SCHEMBL12521007 0.81 HCRTR1 (0.41) PTGER2HCRTR1HCRTR2
SCHEMBL3580741 0.81 C5AR1 (0.40) CCR9
SCHEMBL3580698 0.80 C5AR1 (0.44) CCR9

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