SCHEMBL2855548

SCHEMBL2855548

Cn1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c1Cl

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 14/20 0.68
LMNA P02545 1/20 0.63
HPGD P15428 1/20 0.63
MEN1 O00255 1/20 0.60
PLA2G1B P04054 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
GAA P10253 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
ATG4B Q9Y4P1 1/20 0.60
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
MLYCD O95822 1/20 0.55

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
SCHEMBL5678637 0.81 CCR1 (1.00) CCR1LMNAHPGDHSP90AA1
SCHEMBL2859933 0.80 CCR1 (0.80) CCR1LMNAHPGDMEN1PLA2G1B
SCHEMBL2854432 0.80 CCR1 (0.68) CCR1LMNAHPGDMEN1PLA2G1B
SCHEMBL13093879 0.79 CETP (0.54) CCR1HSP90AA1
SCHEMBL2850143 0.79 CCR1 (0.85) CCR1HPGDHSP90AA1
SCHEMBL31414537 0.79 LMNA (0.59) CCR1LMNAHPGDMEN1PLA2G1B
SCHEMBL26625392 0.79 LMNA (0.69) CCR1LMNAHPGDMEN1PLA2G1B
SCHEMBL2852107 0.78 CCR1 (0.83) CCR1LMNAHPGDMEN1PLA2G1B
SCHEMBL2860195 0.78 CCR1 (0.70) CCR1LMNAHPGDMLYCD
SCHEMBL2859642 0.78 CCR1 (0.73) CCR1HPGD

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 disclosed