SCHEMBL3576392

SCHEMBL3576392

CNc1ccc(Cl)cc1C(=O)N(CCn1ccc(C(F)(F)F)n1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CCR9 P51686 10/20 0.36
CCR2 P41597 1/20 0.35
SERPINE1 P05121 1/20 0.35
CTSB P07858 1/20 0.35
CYP19A1 P11511 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33

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
SCHEMBL3582314 0.87 CCR9 (0.38) CCR9CCR2SERPINE1CYP19A1LMNA
SCHEMBL3574965 0.86 ALDH1A1 (0.38) CCR9CCR2SERPINE1KDM4EALDH1A1
SCHEMBL3580080 0.86 KLKB1 (0.36) CCR9CCR2SERPINE1CYP19A1KDM4E
SCHEMBL3580852 0.85 SERPINE1 (0.36) HCRTR1HCRTR2CCR9SERPINE1CYP19A1
SCHEMBL3577510 0.83 SERPINE1 (0.36) CCR9CCR2SERPINE1CYP19A1KDM4E
SCHEMBL3578962 0.82 CCR1 (0.37) CCR9CCR2SERPINE1KDM4EALDH1A1
SCHEMBL3577474 0.82 CCR9 (0.35) CCR9CCR2SERPINE1CYP19A1KDM4E
SCHEMBL3581537 0.80 PTGER2 (0.42) HCRTR1HCRTR2CCR9
SCHEMBL3584396 0.79 C5AR1 (0.44) CCR9CCR2SERPINE1KDM4EALDH1A1
SCHEMBL3581366 0.78 HCRTR1 (0.38) HCRTR1HCRTR2CCR9CCR2SERPINE1

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