SCHEMBL2855580

SCHEMBL2855580

O=C(NCc1ccc(C(F)(F)F)cc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.62
DDR1 Q08345 1/20 0.54
MAPK11 Q15759 1/20 0.54
MAPK14 Q16539 1/20 0.54
DDR2 Q16832 1/20 0.54
TMEM97 Q5BJF2 1/20 0.54
MAP3K20 Q9NYL2 1/20 0.54
MAP3K2 Q9Y2U5 1/20 0.54
TRPC3 Q13507 1/20 0.54
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
MAPT P10636 2/20 0.49
HSP90AA1 P07900 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL2856181 0.91 CCR1 (0.56) CCR1DDR1MAPK11MAPK14DDR2
SCHEMBL2855565 0.90 CCR1 (0.66) CCR1TRPC3KDM4EALDH1A1MAPT
SCHEMBL2852015 0.90 CCR1 (0.63) CCR1DDR1MAPK11MAPK14DDR2
SCHEMBL2855315 0.90 KDM4E (0.65) CCR1DDR1MAPK11MAPK14DDR2
SCHEMBL2850548 0.90 CCR1 (0.61) CCR1DDR1MAPK11MAPK14DDR2
SCHEMBL2850153 0.89 KDM4E (0.63) CCR1DDR1MAPK11MAPK14DDR2
SCHEMBL2861147 0.89 KDM4E (0.67) CCR1DDR1MAPK11MAPK14DDR2
SCHEMBL2860317 0.89 CCR1 (0.62) CCR1DDR1MAPK11MAPK14DDR2
SCHEMBL2859933 0.88 CCR1 (0.80) CCR1MAPTHSP90AA1NPSR1LMNA
SCHEMBL2859073 0.88 CCR1 (0.55) CCR1DDR1MAPK11MAPK14DDR2

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