SCHEMBL2856252

SCHEMBL2856252

O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.49
TMPRSS4 Q9NRS4 1/20 0.49
CCR1 P32246 12/20 0.48
CCR2 P41597 1/20 0.44
TACR1 P25103 2/20 0.43
MLYCD O95822 1/20 0.42
JUN P05412 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TRPC3 Q13507 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
SCHEMBL2855376 0.91 CCR1 (0.60) CCR1
SCHEMBL2848180 0.87 CCR1 (0.51) CCR1TRPC3
SCHEMBL2855591 0.84 CCR2 (0.41) P2RX1TMPRSS4CCR1CCR2TACR1
SCHEMBL2855565 0.82 CCR1 (0.66) P2RX1TMPRSS4CCR1TRPC3
SCHEMBL2857071 0.81 CCR1 (0.57) P2RX1TMPRSS4CCR1TACR1MLYCD
SCHEMBL2854060 0.80 KDM4E (0.65) CCR1TACR1
SCHEMBL2857075 0.80 P2RX1 (0.57) P2RX1TMPRSS4CCR1TACR1MLYCD
SCHEMBL2852810 0.80 KDM4E (0.48)
SCHEMBL2854820 0.80 MAPK14 (0.47) CCR1TRPC3
SCHEMBL2857923 0.79 CCR1 (0.66) CCR1TRPC3

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