SCHEMBL2850896

SCHEMBL2850896

COc1ccc(CNC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 2/20 0.57
MAPT P10636 2/20 0.54
KLKB1 P03952 1/20 0.51
EPHX2 P34913 1/20 0.51
PDE4B Q07343 1/20 0.51
P2RX7 Q99572 1/20 0.50
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
CCR1 P32246 2/20 0.49
NPSR1 Q6W5P4 2/20 0.48
TSHR P16473 1/20 0.48
NR3C1 P04150 1/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL2856352 0.92 DGAT2 (0.56) DGAT2MAPTKLKB1EPHX2PDE4B
SCHEMBL2857426 0.89 CCR1 (0.55) DGAT2MAPTP2RX7ALDH1A1HPGD
SCHEMBL2853809 0.86 P2RX7 (0.49) DGAT2MAPTKLKB1EPHX2PDE4B
SCHEMBL2855224 0.85 CCR1 (0.55) DGAT2MAPTALDH1A1GAACCR1
SCHEMBL2850370 0.85 DGAT2 (0.55) DGAT2MAPTKLKB1EPHX2PDE4B
SCHEMBL2858191 0.85 CCR1 (0.56) DGAT2P2RX7ALDH1A1CCR1NR3C1
SCHEMBL2856127 0.84 CCR1 (0.64) DGAT2MAPTKLKB1CCR1
SCHEMBL2860606 0.84 CCR1 (0.53) DGAT2MAPTP2RX7ALDH1A1HPGD
SCHEMBL2852975 0.84 CCR1 (0.55) DGAT2MAPTALDH1A1HPGDHTT
SCHEMBL2856282 0.83 DGAT2 (0.54) DGAT2MAPTKLKB1EPHX2PDE4B

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed