SCHEMBL2855115

SCHEMBL2855115

O=C(NCc1cccc(I)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 17/20 0.64
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
NPSR1 Q6W5P4 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 0.89 CCR1 (0.80) CCR1KDM4EALDH1A1NPSR1
SCHEMBL2861171 0.88 CCR1 (0.69) CCR1KDM4EALDH1A1NPSR1
SCHEMBL2852896 0.87 KDM4E (0.63) CCR1KDM4EALDH1A1
SCHEMBL2856127 0.85 CCR1 (0.64) CCR1
SCHEMBL2857457 0.83 CCR1 (0.49) CCR1KDM4ENPSR1
SCHEMBL2857923 0.83 CCR1 (0.66) CCR1KDM4EALDH1A1NPSR1
SCHEMBL2852102 0.83 ALDH1A1 (0.67) CCR1KDM4EALDH1A1
SCHEMBL2858070 0.83 CCR1 (0.57) CCR1KDM4EALDH1A1
SCHEMBL2860195 0.82 CCR1 (0.70) CCR1KDM4EALDH1A1NPSR1
SCHEMBL2850548 0.82 CCR1 (0.61) CCR1KDM4EALDH1A1NPSR1

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