SCHEMBL3582314

SCHEMBL3582314

CNc1ccc(Cl)cc1C(=O)N(CCn1cnc(C(F)(F)F)c1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 13/20 0.38
KDM4C Q9H3R0 1/20 0.36
CCR2 P41597 1/20 0.35
SERPINE1 P05121 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KCNH2 Q12809 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP19A1 P11511 1/20 0.35
F10 P00742 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34

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
SCHEMBL3580812 0.89 TRPM8 (0.35) CCR9KDM4CLMNAHTTKCNH2
SCHEMBL3576392 0.87 HCRTR1 (0.38) CCR9CCR2SERPINE1LMNAHTT
SCHEMBL3574965 0.84 ALDH1A1 (0.38) CCR9CCR2SERPINE1
SCHEMBL3577510 0.83 SERPINE1 (0.36) CCR9CCR2SERPINE1LMNAHTT
SCHEMBL3580080 0.83 KLKB1 (0.36) CCR9CCR2SERPINE1LMNAHTT
SCHEMBL3578962 0.80 CCR1 (0.37) CCR9CCR2SERPINE1LMNASMN1; SMN2
SCHEMBL3577474 0.80 CCR9 (0.35) CCR9CCR2SERPINE1LMNAHTT
SCHEMBL3581537 0.80 PTGER2 (0.42) CCR9
SCHEMBL3576868 0.80 HCRTR1 (0.42) CCR9SERPINE1F10TRPM8
SCHEMBL3581366 0.80 HCRTR1 (0.38) CCR9CCR2SERPINE1LMNAHTT

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