SCHEMBL2854264

SCHEMBL2854264

O=C(NCc1cccc(C(F)(F)F)c1)c1cnn(-c2ccc(F)c(F)c2)c1C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 16/20 0.66
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HSP90AA1 P07900 1/20 0.49
MAPT P10636 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
SCHEMBL2856191 0.90 CCR1 (0.80) CCR1NPSR1KDM4E
SCHEMBL2860195 0.90 CCR1 (0.70) CCR1LMNAHPGDNPSR1KDM4E
SCHEMBL2854432 0.89 CCR1 (0.68) CCR1LMNAHPGD
SCHEMBL2854461 0.89 CCR1 (0.75) CCR1LMNAHPGDNPSR1KDM4E
SCHEMBL2859933 0.89 CCR1 (0.80) CCR1LMNAHPGDNPSR1HSP90AA1
SCHEMBL2859642 0.88 CCR1 (0.73) CCR1HPGDKDM4EMAPT
SCHEMBL12315399 0.86 CCR1 (0.83) CCR1
SCHEMBL2854971 0.85 CCR1 (0.66) CCR1NPSR1KDM4E
SCHEMBL2858942 0.84 CCR1 (0.82) CCR1NPSR1KDM4EHSP90AA1MAPT
SCHEMBL2854324 0.84 CCR1 (0.51) CCR1

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