SCHEMBL20535227

SCHEMBL20535227

O=C(OC(CNCc1ccccc1)c1ccccc1)N1CCCCC1CN(Cc1ccccc1)CC(O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 4/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ DPP4 P27487 2/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ CCR5 P51681 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP2D6 P10635 4/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ SLC18A2 Q05940 1/20 0.34

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
SCHEMBL20535226 0.87 KDM4E (0.40) HRH3DPP4DPP7KDM4ECCR5
SCHEMBL20535908 0.81 LMNA (0.41) HRH3DPP7KDM4ECYP2D6CYP1A2
SCHEMBL21216253 0.81 KDM1A (0.42) FKBP1AKDM4EATMLMNA
SCHEMBL21202236 0.81 KDM1A (0.42) FKBP1AKDM4EATMLMNA
SCHEMBL21216118 0.65 KDM1A (0.46) HRH3KDM4EATM
SCHEMBL28472037 0.65 KDM4E (0.49) HRH3DPP7KDM4E
SCHEMBL6819563 0.62 AOC3 (0.53) KDM4EL3MBTL1TSHRLMNA
SCHEMBL4407771 0.62 AOC3 (0.53) KDM4EL3MBTL1TSHRLMNA
SCHEMBL5177116 0.62 KDM1A (0.46) FKBP1AATMCYP2D6CYP1A2LMNA
SCHEMBL21216112 0.62 JAK2 (0.44) HRH3KDM4EATML3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3609866-A1 THERMALLY-CLEAVABLE PROTECTING AND LINKER GROUPS Evonetix Ltd (GB) 2020-02-19 — — EP disclosed
WO-2018189546-A1 THERMALLY-CLEAVABLE PROTECTING AND LINKER GROUPS EVONETIX LTD (GB) 2018-10-18 — — WO disclosed
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