SCHEMBL8575284

SCHEMBL8575284

COC(=O)CCc1ccc(C2CNC(=O)N2C2CCNCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
GCK P35557 2/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 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
SCHEMBL8415393 0.84 DPP4 (0.40) ALDH1A1SMN1; SMN2ITGB3ITGA2B
SCHEMBL8575282 0.82 TDP1 (0.36) HRH3ALDH1A1SMN1; SMN2GCK
Hydrochloric Acid SCHEMBL8415510 0.80 FFAR4 (0.40) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL9409381 0.76 HRH3 (0.44) HRH3EPHX2ALDH1A1SMN1; SMN2ITGB3
SCHEMBL3859776 0.75 MEN1 (0.36) ALDH1A1ADRB2
SCHEMBL8574007 0.75 ITGB3 (0.39) HRH3EPHX2ITGB3ITGA2B
SCHEMBL8415391 0.74 NPC1 (0.38) ALDH1A1
SCHEMBL3860582 0.74 ALDH1A1 (0.39) ALDH1A1
SCHEMBL8576047 0.74 HRH3 (0.38) HRH3EPHX2GCK
SCHEMBL8417066 0.74 ITGB3 (0.48) HRH3ITGB3ITGA2B

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