SCHEMBL8575186

SCHEMBL8575186

CC(N)c1ccc(C2CNC(=O)N2c2ccc(CCC(=O)O)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
FFAR1 O14842 5/20 0.36
QPCT Q16769 8/20 0.35
FFAR4 Q5NUL3 2/20 0.35
QPCTL Q9NXS2 1/20 0.35
NPSR1 Q6W5P4 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
Hydrochloric Acid SCHEMBL8577042 0.88 HRH3 (0.35) QPCTQPCTL
SCHEMBL8571601 0.85 ITGB3 (0.40) ITGB3ITGA2BPPARDPPARAFFAR1
SCHEMBL8571822 0.83 PPARD (0.38) ITGB3ITGA2BPPARDPPARAFFAR1
SCHEMBL8576418 0.83 FFAR1 (0.38) ITGB3ITGA2BPPARDPPARAFFAR1
SCHEMBL8573927 0.81 RXRA (0.36) ITGB3ITGA2BPPARDPPARAFFAR1
SCHEMBL8414282 0.81 ITGB3 (0.37) ITGB3ITGA2BPPARDPPARAFFAR1
SCHEMBL8416026 0.79 ITGB3 (0.35) ITGB3ITGA2BPPARDPPARAFFAR1
SCHEMBL8577135 0.79 S1PR1 (0.43) PPARDPPARAFFAR1QPCTFFAR4
Hydrochloric Acid SCHEMBL8559595 0.77 QPCT (0.37) ITGB3ITGA2BQPCTQPCTL
SCHEMBL8572786 0.77 QPCT (0.38) ITGB3ITGA2BQPCTQPCTL

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