SCHEMBL2558947

SCHEMBL2558947

OB(O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ S1PR5 Q9H228 1/20 0.51
▸ MAOB P27338 4/20 0.48
▸ FFAR1 O14842 3/20 0.48
▸ MAOA P21397 2/20 0.48
▸ ENPP2 Q13822 2/20 0.48
▸ IDO1 P14902 2/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ MRGPRX4 Q96LA9 1/20 0.47
▸ CYP2D6 P10635 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL2556562 0.90 HRH3 (0.51) S1PR1HTR2AKCNH2SIGMAR1S1PR5
SCHEMBL12260334 0.86 MRGPRX4 (0.50) S1PR1HTR2AKCNH2SIGMAR1S1PR5
SCHEMBL2553790 0.83 ENPP2 (0.51) MAOBFFAR1MAOAENPP2IDO1
SCHEMBL12420267 0.82 APP (0.54) ENPP2PTPN1CYP2C19
SCHEMBL2559504 0.81 MAOB (0.61) MAOBMAOAENPP2NPC1MAPT
SCHEMBL508773 0.81 S1PR1 (0.55) S1PR1HTR2AKCNH2SIGMAR1S1PR5
SCHEMBL257888 0.81 MAOB (0.61) MAOBMAOAENPP2NPC1MAPT
SCHEMBL11118881 0.81 MRGPRX4 (0.59) S1PR1HTR2AKCNH2SIGMAR1S1PR5
SCHEMBL177467 0.80 HRH3 (0.54) ENPP2MRGPRX4NPC1MAPTRAB9A
SCHEMBL2555740 0.80 MRGPRX4 (0.60) MAOBENPP2MRGPRX4

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
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