SCHEMBL2857377

SCHEMBL2857377

O=C(NCc1cccc(C(F)(F)F)c1)c1ccnn1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 15/20 0.64
MAPK14 Q16539 1/20 0.54
MLYCD O95822 1/20 0.53
MEN1 O00255 1/20 0.52
PLA2G1B P04054 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
ALPL P05186 1/20 0.51

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
SCHEMBL25781653 0.91 CCR1 (0.53) CCR1MLYCD
SCHEMBL25781908 0.81 CCR1 (0.66) CCR1MAPK14MLYCDMEN1PLA2G1B
SCHEMBL2859642 0.81 CCR1 (0.73) CCR1MAPK14
SCHEMBL2850143 0.80 CCR1 (0.85) CCR1MAPK14
SCHEMBL25078338 0.78 CCR1 (0.59) CCR1MAPK14MLYCDMEN1PLA2G1B
SCHEMBL1256358 0.78 CCR1 (1.00) CCR1
SCHEMBL25781577 0.77 TACR1 (0.48) MLYCDMEN1KMT2A
SCHEMBL5261051 0.77 MLYCD (0.80) MAPK14MLYCDMEN1PLA2G1BCYP1A2
SCHEMBL2858213 0.77 CCR1 (0.69) CCR1MAPK14GAA
SCHEMBL10467154 0.76 KMT2A (0.53) MEN1CYP1A2KMT2A

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