SCHEMBL2856181

SCHEMBL2856181

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.56
NPSR1 Q6W5P4 1/20 0.54
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
P2RX7 Q99572 1/20 0.52
TRPC3 Q13507 1/20 0.52
PTPN1 P18031 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
SCHEMBL2855580 0.91 CCR1 (0.62) CCR1NPSR1DDR1MAPK11MAPK14
SCHEMBL2850548 0.90 CCR1 (0.61) CCR1NPSR1DDR1MAPK11MAPK14
SCHEMBL2855315 0.90 KDM4E (0.65) CCR1DDR1MAPK11MAPK14DDR2
SCHEMBL2852015 0.90 CCR1 (0.63) CCR1NPSR1DDR1MAPK11MAPK14
SCHEMBL2857342 0.89 CCR1 (0.60) CCR1DDR1MAPK11MAPK14DDR2
SCHEMBL2852896 0.89 KDM4E (0.63) CCR1DDR1MAPK11MAPK14DDR2
SCHEMBL2852102 0.89 ALDH1A1 (0.67) CCR1DDR1MAPK11MAPK14DDR2
SCHEMBL2858070 0.89 CCR1 (0.57) CCR1DDR1MAPK11MAPK14DDR2
SCHEMBL2859073 0.88 CCR1 (0.55) CCR1NPSR1DDR1MAPK11MAPK14
SCHEMBL2859678 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