SCHEMBL8575282

SCHEMBL8575282

COC(=O)CCc1ccccc1C1CNC(=O)N1C1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
SSTR1 P30872 2/20 0.33
SSTR4 P31391 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CYP2D6 P10635 1/20 0.33
POLB P06746 1/20 0.33
GCK P35557 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
CYP11B1 P15538 1/20 0.32

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
SCHEMBL8415391 0.82 NPC1 (0.38) KDM4EALDH1A1TSHR
SCHEMBL8575284 0.82 HRH3 (0.41) GCKHRH3ALDH1A1SMN1; SMN2
SCHEMBL6910863 0.78 SLC6A2 (0.50) TDP1SLC6A2SLC6A4SLC6A3POLB
Hydrochloric Acid SCHEMBL1660306 0.77 HTR2C (0.50) TDP1SLC6A2SLC6A4SLC6A3POLB
SCHEMBL8417064 0.72 ITGB3 (0.43) KDM4EALDH1A1
SCHEMBL8575545 0.71 P2RX3 (0.34) TDP1KDM4EALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL4049067 0.71 KDM1A (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL8575389 0.70 GAA (0.35) TDP1GCKKDM4EALDH1A1HPGD
SCHEMBL4610243 0.69 SLC18A3 (0.44) SLC6A2SLC6A4HPGDSMN1; SMN2
SCHEMBL3815926 0.69 SLC18A3 (0.44) SLC6A2SLC6A4HPGDSMN1; SMN2

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