SCHEMBL5064956

SCHEMBL5064956

CC(C)N1CCC(OC2COCCN2C(=O)c2cc3ccccc3[nH]2)CC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.54
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
AKR1C3 P42330 5/20 0.46
HRH4 Q9H3N8 2/20 0.43

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
SCHEMBL5549133 0.84 POLB (0.49) HRH3POLBSMN1; SMN2AKR1C3HRH4
SCHEMBL5039493 0.78 F10 (0.47) HRH3
SCHEMBL4566701 0.77 HRH4 (0.48) HRH3AKR1C3HRH4
SCHEMBL2347853 0.75 POLB (0.63) HRH3POLBSMN1; SMN2AKR1C3HRH4
Hydrochloric Acid SCHEMBL4566573 0.74 HRH4 (0.61) HRH3AKR1C3HRH4
SCHEMBL605846 0.72 HRH4 (0.73) HRH3POLBSMN1; SMN2AKR1C3HRH4
SCHEMBL1652273 0.70 KDM5A (0.58) HRH3
SCHEMBL1378962 0.70 HRH3 (1.00) HRH3
SCHEMBL1377980 0.70 HRH3 (1.00) HRH3
SCHEMBL3253717 0.68 POLB (1.00) HRH3POLBSMN1; SMN2AKR1C3HRH4

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-1957479-A2 1,5-SUBSTITUTED INDOL-2-YL AMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
WO-2007062999-A2 1,5-SUBSTITUTED INDOL-2-YL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed