SCHEMBL6629632

SCHEMBL6629632

O=[N+]([O-])c1ccc(OCCC2CCCCN2)nc1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
HSPB1 P04792 1/20 0.40

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
SCHEMBL6631944 0.79 SSTR2 (0.43)
SCHEMBL27828547 0.79 LTA4H (0.50) SMN1; SMN2
SCHEMBL27884428 0.75 ALDH1A1 (0.44)
SCHEMBL27731073 0.75 S1PR4 (0.48) HSPB1
SCHEMBL4660438 0.74
SCHEMBL17672793 0.73 HSPB1 (0.51) HSPB1
SCHEMBL6975448 0.73 KCNJ1 (0.49)
SCHEMBL6614963 0.73 POLB (0.45) SMN1; SMN2
SCHEMBL27589827 0.72 CHRNB2 (0.51)
SCHEMBL1641137 0.72 LTA4H (0.61) HSPB1

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-1465630-A1 CYCLIC UREA DERIVATIVES WITH 5-HT2C RECEPTOR ACTIVITY GLAXO GROUP LIMITED (GB) 2004-10-13 EP disclosed
WO-2003057220-A1 CYCLIC UREA DERIVATIVES WITH 5-HT2C RECEPTOR ACTIVITY GLAXO GROUP LIMITED (GB) 2003-07-17 WO disclosed