SCHEMBL8575558

SCHEMBL8575558

COC(=O)CCNC(=O)c1ccccc1C1CNC(=O)N1C1CCN(C)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
KDM5B Q9UGL1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HCN1 O60741 1/20 0.35
HCN4 Q9Y3Q4 1/20 0.35
BDKRB1 P46663 2/20 0.35

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
SCHEMBL8413812 0.90 KDM4E (0.39) LMNAKDM4EALDH1A1BDKRB1
SCHEMBL8415391 0.90 NPC1 (0.38) LMNAKDM4EALDH1A1NPC1RAB9A
SCHEMBL8575563 0.83 LMNA (0.41) LMNAKDM4EALDH1A1RAB9AKMT2A
SCHEMBL8417064 0.79 ITGB3 (0.43) LMNAKDM4EALDH1A1
SCHEMBL8413814 0.73 HRH3 (0.46) RAB9AKMT2A
SCHEMBL8415393 0.72 DPP4 (0.40) LMNAALDH1A1RAB9AKMT2AOPRM1
SCHEMBL7275623 0.65 HDAC8 (0.41) LMNAALDH1A1OPRM1OPRD1
SCHEMBL8575284 0.64 HRH3 (0.41) ALDH1A1
SCHEMBL12062474 0.63 CA1 (0.49) ALDH1A1KMT2AKDM5B
SCHEMBL27564119 0.61 ALDH1A1 (0.59) LMNAKDM4EALDH1A1L3MBTL1

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-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed