SCHEMBL6936977

SCHEMBL6936977

CN(C)C(c1cccc(Oc2ccccc2)c1)C1CCCCC1(O)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
MAPK14 Q16539 1/20 0.38
OPRK1 P41145 1/20 0.37
CETP P11597 3/20 0.36
GRIN2B Q13224 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
FFAR1 O14842 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KDM4E B2RXH2 1/20 0.35
OPRD1 P41143 1/20 0.35
TACR1 P25103 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTR1E P28566 1/20 0.35
S1PR3 Q99500 1/20 0.35
PTGES O14684 1/20 0.35

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
SCHEMBL5162722 0.91 SLC6A2 (0.45) SLC6A2SLC6A4OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL5845093 0.90 SLC6A2 (0.44) SLC6A2SLC6A4OPRM1OPRL1OPRK1
SCHEMBL6940292 0.86 SLC6A4 (0.34) SLC6A2SLC6A4OPRM1CETPSLC6A3
SCHEMBL7429939 0.85 OPRK1 (0.34) SLC6A2SLC6A4OPRM1OPRK1CETP
SCHEMBL6937438 0.84 SLC6A2 (0.41) SLC6A2SLC6A4OPRM1OPRL1GRIN2B
SCHEMBL6939785 0.83 SLC6A2 (0.41) SLC6A2SLC6A4OPRM1OPRL1CETP
SCHEMBL6940376 0.83 SLC6A4 (0.36) SLC6A2SLC6A4OPRM1OPRL1OPRK1
SCHEMBL6936755 0.81 SLC6A2 (0.47) SLC6A2SLC6A4OPRM1OPRK1ALDH1A1
SCHEMBL6934438 0.81 OPRK1 (0.40) SLC6A2SLC6A4OPRM1OPRK1GRIN2B
SCHEMBL5846576 0.81 SLC6A2 (0.40) SLC6A2SLC6A4OPRM1OPRL1OPRK1

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