SCHEMBL7160249

SCHEMBL7160249

CN(C)CCc1ccc(OCc2cccc(N)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.54
NOS2 P35228 5/20 0.54
HRH3 Q9Y5N1 4/20 0.51
NOS3 P29474 1/20 0.49
KCNH2 Q12809 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
ALOX5 P09917 1/20 0.42
FFAR1 O14842 1/20 0.41
AKR1B1 P15121 1/20 0.41

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
SCHEMBL5338014 0.86 NOS1 (0.59) NOS1NOS2HRH3NOS3KCNH2
SCHEMBL25380997 0.76 KCNH2 (0.75) NOS1NOS2NOS3KCNH2
SCHEMBL13886624 0.73 TAAR1 (0.66) HRH3ALOX5FFAR1
SCHEMBL3928241 0.71 MAOB (0.53) KCNH2
SCHEMBL3052357 0.69 HRH3 (0.72) HRH3KCNH2KEAP1NFE2L2
SCHEMBL928390 0.68 HRH3 (0.77) HRH3KCNH2KEAP1NFE2L2
SCHEMBL10662153 0.67 HRH3 (0.77) HRH3KCNH2KEAP1NFE2L2
SCHEMBL19685842 0.67 KCNH2 (0.59) KCNH2ALOX5
SCHEMBL11065856 0.67 NOS2 (0.45) NOS1NOS2NOS3
SCHEMBL3928236 0.67 BACE1 (0.45) NOS1NOS2NOS3KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP disclosed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 WO disclosed