SCHEMBL2854461

SCHEMBL2854461

O=C(NCc1cccc(C(F)(F)F)c1)c1cnn(-c2cccc(F)c2)c1C(F)(F)F

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 14/20 0.75
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 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 0.91 CCR1 (0.80) CCR1KDM4EALDH1A1NPSR1
SCHEMBL2859642 0.91 CCR1 (0.73) CCR1KDM4EALDH1A1HPGD
SCHEMBL2854432 0.90 CCR1 (0.68) CCR1LMNAHPGD
SCHEMBL2854264 0.89 CCR1 (0.66) CCR1KDM4ENPSR1LMNAHPGD
SCHEMBL2860195 0.89 CCR1 (0.70) CCR1KDM4EALDH1A1NPSR1LMNA
SCHEMBL2859933 0.86 CCR1 (0.80) CCR1NPSR1LMNAHPGD
SCHEMBL1135473 0.85 CCR1 (1.00) CCR1
SCHEMBL2854971 0.83 CCR1 (0.66) CCR1KDM4ENPSR1
SCHEMBL2862837 0.83 CCR1 (0.61) CCR1KDM4ENPSR1
SCHEMBL2850396 0.83 KDM4E (0.60) CCR1KDM4EALDH1A1HPGD

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