SCHEMBL6988739

SCHEMBL6988739

C=C(CN1CCN(C(=O)O)CC1)CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CASR P41180 20/20 0.62

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
SCHEMBL6989540 0.91 CASR (0.49) CASR
SCHEMBL6698536 0.91 CASR (0.57) CASR
SCHEMBL4393805 0.90 CASR (0.62) CASR
Hydrochloric Acid SCHEMBL4400765 0.89 CASR (0.61) CASR
SCHEMBL6986096 0.88 CASR (0.49) CASR
SCHEMBL4397067 0.87 CASR (0.59) CASR
SCHEMBL6985526 0.87 ALDH1A1 (0.46) CASR
SCHEMBL5558790 0.82 CASR (0.76) CASR
SCHEMBL4391777 0.81 CASR (0.53) CASR
SCHEMBL4401060 0.81 CASR (0.47) CASR

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-1358171-A2 NOVEL UREA DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE Aventis Pharma S.A. (FR) 2003-11-05 EP disclosed
WO-2002059102-A2 UREA DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND USE AVENTIS PHARMA S.A. (FR) 2002-08-01 WO disclosed