SCHEMBL3575555

SCHEMBL3575555

CNc1ccc(Cl)cc1C(=O)N(CCc1ccc(Cl)cn1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.42
KLKB1 P03952 3/20 0.42
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
CCR9 P51686 2/20 0.39
SERPINE1 P05121 1/20 0.39

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
SCHEMBL3576868 0.93 HCRTR1 (0.42) F10KLKB1HCRTR1HCRTR2CCR9
SCHEMBL3584396 0.87 C5AR1 (0.44) F10KLKB1CCR9SERPINE1
SCHEMBL3581366 0.86 HCRTR1 (0.38) F10HCRTR1HCRTR2CCR9SERPINE1
SCHEMBL3581193 0.85 CCR9 (0.39) F10KLKB1CCR9SERPINE1
SCHEMBL1397703 0.84 HCRTR1 (0.37) F10KLKB1HCRTR1HCRTR2CCR9
SCHEMBL3579634 0.84 SERPINE1 (0.40) CCR9SERPINE1
SCHEMBL3581537 0.83 PTGER2 (0.42) HCRTR1HCRTR2CCR9
SCHEMBL3583634 0.82 SERPINE1 (0.39) CCR9SERPINE1
SCHEMBL3580741 0.81 C5AR1 (0.40) F10CCR9SERPINE1
SCHEMBL3577656 0.80 CNR1 (0.42) F10CCR9SERPINE1

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