SCHEMBL2854422

SCHEMBL2854422

O=C(NCc1cc(C(F)(F)F)ccc1F)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 10/20 0.58
TRPC3 Q13507 1/20 0.51
P2RX7 Q99572 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 2/20 0.48
HSP90AA1 P07900 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
DDR1 Q08345 1/20 0.47
KLKB1 P03952 1/20 0.45
RIPK1 Q13546 1/20 0.44

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
SCHEMBL2861063 0.93 CCR1 (0.57) CCR1TRPC3P2RX7KDM4EALDH1A1
SCHEMBL2855580 0.85 CCR1 (0.62) CCR1TRPC3KDM4EALDH1A1MAPT
SCHEMBL2855565 0.85 CCR1 (0.66) CCR1TRPC3KDM4EALDH1A1MAPT
SCHEMBL2859933 0.84 CCR1 (0.80) CCR1MAPTHSP90AA1NPSR1
SCHEMBL2861423 0.83 P2RX7 (0.46) CCR1TRPC3P2RX7MAPTHSP90AA1
SCHEMBL2851005 0.82 P2RX7 (0.66) CCR1TRPC3P2RX7KDM4EALDH1A1
SCHEMBL2856181 0.81 CCR1 (0.56) CCR1TRPC3P2RX7KDM4EALDH1A1
SCHEMBL2852015 0.80 CCR1 (0.63) CCR1TRPC3KDM4EALDH1A1MAPT
SCHEMBL2854425 0.80 CCR1 (0.60) CCR1TRPC3KDM4EALDH1A1MAPT
SCHEMBL10365015 0.80 TRPC3 (0.70) CCR1TRPC3KDM4EALDH1A1MAPT

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