SCHEMBL2556562

SCHEMBL2556562

OB(O)c1ccc(COc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.50
SCN9A Q15858 1/20 0.48
EGFR P00533 1/20 0.46
ENPP2 Q13822 2/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
MAOB P27338 4/20 0.44
MAOA P21397 1/20 0.44
FFAR1 O14842 1/20 0.43
CYP2D6 P10635 1/20 0.43
DAO P14920 1/20 0.43
S1PR1 P21453 1/20 0.42
HTR2A P28223 1/20 0.42
KCNH2 Q12809 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
S1PR5 Q9H228 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
SCHEMBL2558947 0.90 S1PR1 (0.51) MRGPRX4ENPP2MAOBMAOAFFAR1
SCHEMBL177467 0.86 HRH3 (0.54) HRH3MRGPRX4EGFRENPP2
SCHEMBL2555740 0.83 MRGPRX4 (0.60) MRGPRX4SCN9AENPP2MAOB
SCHEMBL12420267 0.82 APP (0.54) ENPP2
SCHEMBL257888 0.81 MAOB (0.61) HRH3ENPP2MAOBMAOA
SCHEMBL2559504 0.81 MAOB (0.61) HRH3ENPP2MAOBMAOA
SCHEMBL11123480 0.81 MAOB (0.59) HRH3MRGPRX4SCN9AMAOBMAOA
SCHEMBL11118881 0.81 MRGPRX4 (0.59) HRH3MRGPRX4MAOBMAOAFFAR1
SCHEMBL2553790 0.80 ENPP2 (0.51) MRGPRX4ENPP2MAOBMAOAFFAR1
SCHEMBL12260334 0.80 MRGPRX4 (0.50) HRH3MRGPRX4ENPP2PTGDR2MAOB

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