SCHEMBL5208230

SCHEMBL5208230

CCN(CC)C(=O)c1ccc(N2CCC(N)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.54
OPRK1 P41145 5/20 0.54
USP2 O75604 1/20 0.47
SMYD3 Q9H7B4 1/20 0.46
HPGD P15428 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
OPRM1 P35372 7/20 0.44
MLYCD O95822 1/20 0.44
LMNA P02545 1/20 0.44

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
Hydrochloric Acid SCHEMBL6139939 0.99 OPRD1 (0.53) OPRD1OPRK1USP2SMYD3HPGD
SCHEMBL9482058 0.81 OPRD1 (0.60) OPRD1OPRK1OPRM1
SCHEMBL3773829 0.79 MAPT (0.57) USP2SMYD3ALDH1A1MAPTLMNA
SCHEMBL14529817 0.78 L3MBTL3 (0.52) OPRD1OPRK1ALDH1A1MAPTOPRM1
SCHEMBL378149 0.77 HPGD (0.54) HPGDALDH1A1MAPTLMNA
SCHEMBL7230153 0.77 USP2 (0.70) USP2SMYD3HPGDALDH1A1MAPT
SCHEMBL2263367 0.77 GPR119 (0.55) USP2SMYD3HPGDALDH1A1MAPT
SCHEMBL3289762 0.77 SPHK1 (0.49) OPRD1HPGDALDH1A1MAPTOPRM1
SCHEMBL3289764 0.77 SPHK1 (0.49) OPRD1HPGDALDH1A1MAPTOPRM1
Hydrochloric Acid SCHEMBL6139554 0.76 HPGD (0.52) HPGDALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242083-B1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI AVENTIS (FR) 2007-03-14 EP disclosed
EP-1242083-A1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Sanofi-Aventis (FR) 2002-09-25 EP disclosed
WO-2001043744-A1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-06-21 WO disclosed