SCHEMBL2562841

SCHEMBL2562841

OB(O)c1c(C(F)(F)F)ccnc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.44
KIF11 P52732 2/20 0.42
MGLL Q99685 1/20 0.42
ORAI1 Q96D31 1/20 0.38
ORAI2 Q96SN7 1/20 0.38
ORAI3 Q9BRQ5 1/20 0.38
TRPV6 Q9H1D0 1/20 0.38
NISCH Q9Y2I1 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
SCN2A Q99250 2/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36

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
SCHEMBL2561400 0.83 TRPV1 (0.45) TRPV1KIF11MGLLORAI1ORAI2
SCHEMBL2558822 0.82 TDO2 (0.47) MGLLSCN2A
SCHEMBL2562262 0.82 NISCH (0.40) TRPV1NISCHSCN2A
SCHEMBL2552006 0.76
SCHEMBL2558678 0.75 KIF11 (0.42) TRPV1KIF11MGLLORAI1ORAI2
SCHEMBL2553980 0.75 TRPV1 (0.43) TRPV1KIF11MGLLORAI1ORAI2
SCHEMBL2556677 0.75 KMO (0.43)
SCHEMBL29951335 0.73 MGLL (0.32) MGLL
SCHEMBL29951268 0.73 MGLL (0.32) MGLL
SCHEMBL2562536 0.73 KCNH2 (0.43)

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 7 patents. 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
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed