SCHEMBL4632472

SCHEMBL4632472

CN(C)C(CC1(O)CCCCC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
LMNA P02545 2/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A2 P23975 6/20 0.39
SLC6A4 P31645 6/20 0.39
SLC6A3 Q01959 1/20 0.39
CHRM4 P08173 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL8028845 0.86 SLC6A2 (0.52) LMNACHRM2CHRM1SLC6A2SLC6A4
SCHEMBL902452 0.86 SLC6A2 (0.52) LMNACHRM2CHRM1SLC6A2SLC6A4
SCHEMBL8028820 0.86 SLC6A2 (0.52) LMNACHRM2CHRM1SLC6A2SLC6A4
SCHEMBL4627006 0.84 OPRM1 (0.39) LMNASLC6A2SLC6A4SLC6A3HRH3
SCHEMBL4085148 0.83 ALOX5 (0.44) LMNASLC6A2SLC6A3
SCHEMBL4736496 0.83 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3
SCHEMBL902225 0.82 SLC6A2 (0.56) LMNAKMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL2761798 0.82 SLC6A2 (0.56) LMNAKMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL4967524 0.82 SLC6A2 (0.56) LMNAKMT2ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3349919 0.81 SLC6A2 (0.56) LMNAKMT2ASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924251-A1 TOPICAL FORMULATIONS CONTAINING O-DESMETHYL VENLAFAXINE (ODV) OR ITS SALTS Wyeth a Corporation of the State of Delaware (US) 2008-05-28 EP disclosed
WO-2007030537-A1 TOPICAL FORMULATIONS CONTAINING O-DESMETHYL VENLAFAXINE (ODV) OR ITS SALTS WYETH (US) 2007-03-15 WO disclosed