SCHEMBL2862820

SCHEMBL2862820

O=C(NCCc1cccc(F)c1)Oc1cnn(-c2ccc(F)cc2)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.45
CCR1 P32246 5/20 0.44
MAPT P10636 1/20 0.43
ABCB1 P08183 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK14 Q16539 5/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR1 P21554 1/20 0.39

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
SCHEMBL2853061 0.94 KDM4E (0.44) P2RX7CCR1MAPTABCB1KDM4E
SCHEMBL2858011 0.94 ABCB1 (0.51) P2RX7CCR1MAPTABCB1NPSR1
SCHEMBL2854340 0.93 CCR1 (0.53) P2RX7CCR1MAPTKDM4ENPSR1
SCHEMBL2857996 0.92 CCR1 (0.48) P2RX7CCR1MAPTABCB1KDM4E
SCHEMBL2854346 0.91 MAPT (0.52) P2RX7CCR1MAPTKDM4ELMNA
SCHEMBL2852556 0.90 TDP1 (0.44) CCR1MAPTKDM4ENPSR1
SCHEMBL2863154 0.90 MAPT (0.45) P2RX7CCR1MAPTKDM4ELMNA
SCHEMBL2852941 0.89 POLB (0.44) CCR1MAPTKDM4ELMNAHTT
SCHEMBL2856562 0.87 MAPT (0.48) P2RX7MAPTKDM4ELMNASMN1; SMN2
SCHEMBL2855493 0.87 P2RX7 (0.48) P2RX7CCR1MAPTNPSR1CNR1

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 1 patent. 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