SCHEMBL2857181

SCHEMBL2857181

O=C(NCc1cccc(C(F)(F)F)c1)Oc1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 15/20 0.47
MEN1 O00255 1/20 0.44
PLA2G1B P04054 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL2855591 0.92 CCR2 (0.41) CCR1CYP1A2GAACYP2D6CYP2C19
SCHEMBL2859076 0.89 KEAP1 (0.42) CCR1
SCHEMBL2854487 0.87 TSHR (0.45) CCR1MEN1KMT2ALMNAHPGD
SCHEMBL2849956 0.85 CCR1 (0.62) CCR1MEN1PLA2G1BCYP1A2CYP3A4
SCHEMBL2850732 0.85 CCR1 (0.53) CCR1MEN1PLA2G1BCYP1A2CYP3A4
SCHEMBL2855376 0.85 CCR1 (0.60) CCR1MEN1PLA2G1BCYP1A2CYP3A4
SCHEMBL2857366 0.84 CCR1 (0.47) CCR1
SCHEMBL2856556 0.84 CCR1 (0.54) CCR1
SCHEMBL2860247 0.84 CCR1 (0.59) CCR1
SCHEMBL2852539 0.83 LMNA (0.52) CCR1MEN1PLA2G1BCYP1A2CYP3A4

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 1 patent. 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