SCHEMBL8575472

SCHEMBL8575472

NCc1ccc(N2CCC(CCC(=O)O)N(c3ccccc3)C2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
FFAR4 Q5NUL3 6/20 0.36
S1PR1 P21453 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PTPN1 P18031 1/20 0.35
F10 P00742 1/20 0.34
CPB1 P15086 1/20 0.34
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
NTRK1 P04629 1/20 0.33

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
SCHEMBL8575501 0.88 PTGER3 (0.35) PTGER3PTGER2FFAR4S1PR1HDAC1
Hydrochloric Acid SCHEMBL8573491 0.88 CTSG (0.39) HDAC1HDAC8HDAC6NTRK1
SCHEMBL8575092 0.78 CTSG (0.43)
Hydrochloric Acid SCHEMBL8575626 0.77 CTSG (0.42)
SCHEMBL8575529 0.75 PTGER4 (0.37) PTGER3PTGER2MEN1KMT2AFFAR4
SCHEMBL8573886 0.73 HDAC1 (0.40) HDAC1HDAC8HDAC6
SCHEMBL8572958 0.73 GRIN1 (0.40) PTPN1
SCHEMBL7275491 0.72 S1PR1 (0.52) MEN1NPC1RAB9AKMT2AFFAR4
SCHEMBL8572789 0.72 PTGER4 (0.40)
SCHEMBL8573785 0.72 FFAR4 (0.39) PTGER3PTGER2MEN1KMT2AFFAR4

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