SCHEMBL2857342

SCHEMBL2857342

Cc1ccc(CNC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 10/20 0.60
MAPT P10636 1/20 0.55
DDR1 Q08345 1/20 0.52
MAPK11 Q15759 1/20 0.52
MAPK14 Q16539 1/20 0.52
DDR2 Q16832 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
MAP3K20 Q9NYL2 1/20 0.52
MAP3K2 Q9Y2U5 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
HPGD P15428 1/20 0.51
SPR P35270 1/20 0.50
TRPC3 Q13507 1/20 0.49

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
SCHEMBL2850548 0.90 CCR1 (0.61) CCR1DDR1MAPK11MAPK14DDR2
SCHEMBL2860464 0.90 KDM4E (0.65) CCR1MAPTDDR1MAPK11MAPK14
SCHEMBL2856181 0.89 CCR1 (0.56) CCR1DDR1MAPK11MAPK14DDR2
SCHEMBL2852102 0.89 ALDH1A1 (0.67) CCR1MAPTDDR1MAPK11MAPK14
SCHEMBL2852896 0.89 KDM4E (0.63) CCR1MAPTDDR1MAPK11MAPK14
SCHEMBL2855224 0.89 CCR1 (0.55) CCR1MAPTDDR1MAPK11MAPK14
SCHEMBL2861171 0.88 CCR1 (0.69) CCR1KDM4EALDH1A1HPGD
SCHEMBL2857923 0.85 CCR1 (0.66) CCR1DDR1MAPK11MAPK14DDR2
SCHEMBL2858070 0.84 CCR1 (0.57) CCR1DDR1MAPK11MAPK14DDR2
SCHEMBL15354817 0.84 TRPC3 (0.66) CCR1MAPTKDM4EALDH1A1KMT2A

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