SCHEMBL2860320

SCHEMBL2860320

O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnn(-c2ccccc2[N+](=O)[O-])c1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.52
P2RX1 P51575 3/20 0.48
LMNA P02545 1/20 0.47
TACR1 P25103 1/20 0.46
MALT1 Q9UDY8 5/20 0.45
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TMPRSS4 Q9NRS4 1/20 0.42

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
SCHEMBL2859043 0.93 CCR1 (0.62) CCR1LMNAMALT1ALDH1A1
SCHEMBL2848347 0.90 GAA (0.51) CCR1MALT1HTTKDM4EALDH1A1
SCHEMBL2855247 0.86 CCR1 (0.49) CCR1MALT1
SCHEMBL2852396 0.84 LMNA (0.45) CCR1P2RX1LMNATACR1ALDH1A1
SCHEMBL2854304 0.83 NPC1 (0.49) CCR1LMNAKDM4EALDH1A1
SCHEMBL2852112 0.83 CCR1 (0.68) CCR1P2RX1KDM4EALDH1A1TMPRSS4
SCHEMBL2854060 0.82 KDM4E (0.65) CCR1TACR1KDM4EALDH1A1
SCHEMBL2855124 0.80 KDM4E (0.47) P2RX1MALT1KDM4EALDH1A1
SCHEMBL2857071 0.79 CCR1 (0.57) CCR1P2RX1TACR1KDM4EALDH1A1
SCHEMBL2852100 0.79 MAPK11 (0.49) MALT1KDM4EALDH1A1

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