SCHEMBL3581366

SCHEMBL3581366

CNc1ccc(Cl)cc1C(=O)N(CCc1cc(C(F)(F)F)ccn1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CCR9 P51686 8/20 0.37
SERPINE1 P05121 1/20 0.36
DDR1 Q08345 1/20 0.35
RAF1 P04049 1/20 0.35
MAP2K1 Q02750 1/20 0.35
LMNA P02545 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
CCR2 P41597 1/20 0.35
F10 P00742 1/20 0.34
PTGER2 P43116 1/20 0.34
HTT P42858 1/20 0.34
KCNH2 Q12809 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL3576868 0.90 HCRTR1 (0.42) HCRTR1HCRTR2CCR9SERPINE1TRPM8
SCHEMBL3582723 0.88 HCRTR1 (0.37) HCRTR1HCRTR2CCR9RAF1MAP2K1
SCHEMBL3575609 0.86 LMNA (0.43) SERPINE1LMNASMN1; SMN2
SCHEMBL3575555 0.86 F10 (0.42) HCRTR1HCRTR2CCR9SERPINE1F10
SCHEMBL3581537 0.85 PTGER2 (0.42) HCRTR1HCRTR2CCR9PTGER2
SCHEMBL3584396 0.84 C5AR1 (0.44) CCR9SERPINE1LMNAKDM4EALDH1A1
SCHEMBL3581193 0.84 CCR9 (0.39) CCR9SERPINE1LMNAKDM4EALDH1A1
SCHEMBL3580698 0.83 C5AR1 (0.44) CCR9LMNAKDM4EALDH1A1GLA
SCHEMBL3583634 0.81 SERPINE1 (0.39) CCR9SERPINE1LMNAKDM4EALDH1A1
SCHEMBL3579634 0.81 SERPINE1 (0.40) CCR9SERPINE1LMNAKDM4EALDH1A1

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