SCHEMBL4776531

SCHEMBL4776531

NC(=O)c1ccc(C(F)(F)F)c(-c2ccccc2)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.46
BCAT2 O15382 1/20 0.42
IKBKB O14920 4/20 0.41
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
CHUK O15111 2/20 0.38
GRK6 P43250 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
IKBKE Q14164 1/20 0.38
PKMYT1 Q99640 1/20 0.38
SCN9A Q15858 2/20 0.37
NTRK1 P04629 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL3824173 0.89 FABP4 (0.54) FABP4KDM4EMEN1KMT2ANR1H2
SCHEMBL5314054 0.84 FABP4 (0.46) FABP4BCAT2IKBKBKDM4EMEN1
SCHEMBL27599997 0.84 FABP4 (0.46) FABP4BCAT2IKBKBKDM4EMEN1
SCHEMBL6173691 0.83 FABP4 (0.45) FABP4BCAT2IKBKBKDM4EMEN1
SCHEMBL26669291 0.82 FABP4 (0.45) FABP4BCAT2IKBKBKDM4EMEN1
SCHEMBL3763563 0.81 FABP4 (0.43) FABP4BCAT2IKBKBKDM4EMEN1
SCHEMBL530568 0.81 FABP4 (0.58) FABP4BCAT2IKBKBNR1H2NR1H3
SCHEMBL30339795 0.81 FABP4 (0.58) FABP4BCAT2IKBKBNR1H2NR1H3
Hydrochloric Acid SCHEMBL28812647 0.79 FABP4 (0.57) FABP4BCAT2IKBKBNR1H2NR1H3
SCHEMBL10430504 0.79 MAP2 (0.47) BCAT2IKBKBKDM4EMEN1KMT2A

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
EP-1891064-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-02-27 EP disclosed
WO-2006133802-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2006-12-21 WO disclosed