SCHEMBL6936762

SCHEMBL6936762

CN(C)C(c1ccccc1)C1CCCCC1(O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.39
OPRL1 P41146 2/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
LMNA P02545 3/20 0.36
SLC18A3 Q16572 2/20 0.35
SLC6A4 P31645 1/20 0.35
KDR P35968 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KLK7 P49862 1/20 0.34

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 SCHEMBL7741182 0.99 OPRL1 (0.39) SLC6A9OPRL1OPRM1OPRD1OPRK1
SCHEMBL6936962 0.92 SLC6A4 (0.40) SLC6A9OPRL1SLC6A4SLC6A3
SCHEMBL6938861 0.92 GRIN2B (0.39) SLC6A9OPRL1
SCHEMBL5846308 0.92 CCR5 (0.38) SLC6A9OPRL1OPRM1SLC6A4SLC6A3
SCHEMBL6936749 0.92 OPRM1 (0.37) SLC6A9OPRL1OPRM1OPRD1OPRK1
SCHEMBL5163369 0.92 CCR5 (0.38) SLC6A9
Hydrochloric Acid SCHEMBL5847559 0.91 CCR5 (0.37) SLC6A9OPRL1OPRM1LMNASLC6A4
SCHEMBL6937455 0.90 PSEN1 (0.37) SLC6A9OPRK1LMNA
SCHEMBL6939728 0.90 ALDH1A1 (0.40) OPRL1OPRM1OPRD1OPRK1LMNA
SCHEMBL5160201 0.89 CCR5 (0.41) OPRL1OPRM1OPRD1OPRK1SLC6A4

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 7 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
EP-1043307-A2 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use Grünenthal GmbH (DE) 2000-10-11 EP disclosed