SCHEMBL29951001

SCHEMBL29951001

OB(O)c1c(Cl)cccc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 6/20 0.40
CACNG8 Q8WXS5 6/20 0.40
P2RX7 Q99572 2/20 0.36
GRIN2B Q13224 1/20 0.35
CACNG2 Q9Y698 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MAP2 P11137 1/20 0.33
MGLL Q99685 1/20 0.33
PNLIP P16233 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL18190674 1.00 GRIA1 (0.40) GRIA1CACNG8P2RX7GRIN2BCACNG2
SCHEMBL29950745 0.80 ALDH1A1 (0.35) MGLLKCNK3KCNK9KDM4EGAA
SCHEMBL30995614 0.80 EPHX2 (0.36) KCNK3KCNK9KDM4EGAA
SCHEMBL29956642 0.79 KCNK3 (0.35) GRIA1CACNG8CACNG2KCNK3KCNK9
SCHEMBL7227159 0.79 ENPP2 (0.46) GRIN2BKCNK3KCNK9KDM4EGAA
SCHEMBL29806937 0.76 ENPP2 (0.50) KDM4E
SCHEMBL952255 0.76 ENPP2 (0.50) KDM4E
SCHEMBL2446918 0.75 ENPP2 (0.41) GRIA1CACNG8P2RX7GRIN2BMAP2
SCHEMBL29955371 0.75 ENPP2 (0.41) GRIA1CACNG8P2RX7GRIN2BMAP2
SCHEMBL8653715 0.75 GRIA1 (0.48) GRIA1CACNG8P2RX7GRIN2BCACNG2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed