SCHEMBL6939736

SCHEMBL6939736

COc1ccc(CC2(O)CCCCC2Cc2ccccc2N(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.40
SLC6A2 P23975 9/20 0.40
OPRM1 P35372 5/20 0.40
SLC22A1 O15245 3/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A3 Q01959 4/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.35
CNR1 P21554 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL6936768 0.89 SLC6A9 (0.39) SLC6A4SLC6A2OPRM1SLC22A1CHRM2
SCHEMBL6942328 0.89 SLC6A4 (0.47) SLC6A4SLC6A2OPRM1SLC22A1CHRM2
SCHEMBL6939054 0.88 SLC6A4 (0.42) SLC6A4SLC6A2OPRD1OPRK1SLC6A3
Hydrochloric Acid SCHEMBL7741185 0.88 OPRL1 (0.39) SLC6A4SLC6A2OPRM1SLC22A1CHRM2
SCHEMBL6937424 0.87 TRPA1 (0.44) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL5846320 0.87 SLC6A4 (0.36) SLC6A4SLC6A2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL5847568 0.86 SLC6A4 (0.36) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6934477 0.82 SLC6A4 (0.52) SLC6A4SLC6A2OPRM1SLC22A1CHRM2
SCHEMBL5845144 0.82 TRPA1 (0.35) SLC6A4SLC6A2OPRM1SLC22A1CHRM2
Hydrochloric Acid SCHEMBL5846909 0.81 TRPA1 (0.34) SLC6A4SLC6A2OPRM1SLC22A1CHRM2

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