SCHEMBL6985526

SCHEMBL6985526

C=C(CN1CCN(C(=O)O)CC1)CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
LMNA P02545 4/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CASR P41180 8/20 0.45
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.43
FAAH O00519 1/20 0.42
LTA4H P09960 2/20 0.42
NPY5R Q15761 1/20 0.41
TSHR P16473 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
SCHEMBL6989540 0.93 CASR (0.49) ALDH1A1MAPTGAACASRMEN1
SCHEMBL4403137 0.89 LMNA (0.48) ALDH1A1LMNAMAPTGAASMN1; SMN2
Hydrochloric Acid SCHEMBL4402106 0.88 CASR (0.50) ALDH1A1LMNAMAPTGAASMN1; SMN2
SCHEMBL6988739 0.87 CASR (0.62) CASR
SCHEMBL6986096 0.85 CASR (0.49) ALDH1A1GAACASRMEN1KMT2A
SCHEMBL4401060 0.83 CASR (0.47) ALDH1A1LMNAMAPTGAACASR
SCHEMBL4394593 0.82 CASR (0.53) ALDH1A1GAACASRNPY5R
SCHEMBL7092061 0.82 CCR5 (0.47) CASR
SCHEMBL4391778 0.81 CASR (0.51) LMNAGAASMN1; SMN2CASR
Hydrochloric Acid SCHEMBL4391804 0.81 CASR (0.53) ALDH1A1GAACASRNPY5R

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