SCHEMBL6937006

SCHEMBL6937006

CSc1ccccc1C1(O)CCCCC1C(c1ccccc1)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
OPRM1 P35372 7/20 0.33
SLC6A4 P31645 4/20 0.33
KDR P35968 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
OPRK1 P41145 4/20 0.31
SLC6A2 P23975 3/20 0.31
OPRD1 P41143 3/20 0.31
SLC22A1 O15245 2/20 0.31
CHRM2 P08172 2/20 0.31
CHRM1 P11229 2/20 0.31
OPRL1 P41146 3/20 0.31
CHRM3 P20309 1/20 0.31
LMNA P02545 1/20 0.31
SLC6A9 P48067 1/20 0.31
SLC6A5 Q9Y345 1/20 0.31

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
SCHEMBL7732583 0.85 OPRM1 (0.38) MEN1KMT2AOPRM1SLC6A4KDR
SCHEMBL5161138 0.84 OPRM1 (0.42) MEN1KMT2AOPRM1SLC6A4KDR
SCHEMBL6937453 0.81 SLC6A4 (0.46) MEN1KMT2AOPRM1SLC6A4KDR
SCHEMBL5159940 0.81 OPRM1 (0.40) MEN1KMT2AOPRM1SLC6A4KDR
SCHEMBL6938750 0.77 OPRM1 (0.40) MEN1KMT2AOPRM1SLC6A4KDR
SCHEMBL6941375 0.77 OPRM1 (0.41) MEN1KMT2AOPRM1SLC6A4KDR
SCHEMBL6939122 0.77 TACR1 (0.35) MEN1KMT2AOPRM1SLC6A4KDR
SCHEMBL6939493 0.77 SLC6A2 (0.41) MEN1KMT2AOPRM1SLC6A4MAPT
Hydrochloric Acid SCHEMBL7739133 0.76 SLC6A2 (0.41) MEN1KMT2AOPRM1SLC6A4SLC6A3
SCHEMBL6939344 0.76 OPRL1 (0.45) MEN1KMT2AOPRM1SLC6A4KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043307-B1 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use GRUENENTHAL GMBH (DE) 2003-06-04 EP claimed
US-6410790-B1 ANALGESICS GRUENENTHAL GMBH (DE) 2002-06-25 US claimed
EP-1043307-A2 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use Grünenthal GmbH (DE) 2000-10-11 EP claimed
EP-1043307-B1 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use GRUENENTHAL GMBH (DE) 2003-06-04 EP disclosed
US-6410790-B1 ANALGESICS GRUENENTHAL GMBH (DE) 2002-06-25 US disclosed
EP-1043307-A2 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use Grünenthal GmbH (DE) 2000-10-11 EP disclosed