SCHEMBL8575563

SCHEMBL8575563

COC(=O)CCNC(=O)c1ccc(C2CNC(=O)N2C2CCN(C)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
DPP4 P27487 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
PLD2 O14939 4/20 0.38
PLD1 Q13393 4/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PRSS1 P07477 1/20 0.37
CTSG P08311 1/20 0.37
CTRB1 P17538 1/20 0.37
CMA1 P23946 1/20 0.37
USP5 P45974 1/20 0.37
SLC6A5 Q9Y345 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL8413814 0.90 HRH3 (0.46) HDAC2HDAC8HDAC6RAB9AKMT2A
SCHEMBL8415393 0.89 DPP4 (0.40) LMNAOPRM1OPRD1DPP4RAB9A
SCHEMBL8575558 0.83 LMNA (0.37) LMNAOPRM1OPRD1RAB9AKMT2A
SCHEMBL8417066 0.78 ITGB3 (0.48) RAB9AKMT2AHRH3
SCHEMBL7275623 0.74 HDAC8 (0.41) LMNAOPRM1OPRD1HDAC2HDAC8
SCHEMBL8575284 0.73 HRH3 (0.41) SMN1; SMN2HRH3ALDH1A1
SCHEMBL8413812 0.72 KDM4E (0.39) LMNAHRH3KDM4EALDH1A1
SCHEMBL2645739 0.68 GCGR (0.55)
SCHEMBL9254174 0.67 HDAC6 (0.40) LMNAOPRM1OPRD1HDAC2HDAC8
SCHEMBL18211273 0.66 NPC1 (0.46) LMNAOPRM1OPRD1DPP4RAB9A

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