SCHEMBL8575705

SCHEMBL8575705

N#Cc1ccc(-c2ccc(CCI)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
HSD17B10 Q99714 1/20 0.59
LOXL2 Q9Y4K0 2/20 0.50
CYP2A6 P11509 1/20 0.50
KCNJ1 P48048 1/20 0.50
KCNH2 Q12809 1/20 0.50
MMP3 P08254 1/20 0.50
MMP12 P39900 1/20 0.50
MMP13 P45452 1/20 0.50
HRH3 Q9Y5N1 5/20 0.46
CYP19A1 P11511 1/20 0.46
KIF11 P52732 2/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
LSS P48449 1/20 0.42

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
SCHEMBL9568241 0.84 LOXL2 (0.52) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL17857810 0.84 TSHR (0.72) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL10452156 0.83 TSHR (0.59) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL29904577 0.83 TSHR (0.82) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL5780447 0.83 TSHR (0.55) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL17474257 0.83 TSHR (0.82) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL16603419 0.83 TSHR (0.82) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL1004267 0.81 LOXL2 (0.64) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL4839872 0.81 LOXL2 (0.59) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL2041798 0.81 TSHR (0.73) TSHRHSD17B10LOXL2CYP2A6KCNJ1

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 3 patents. 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
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed