SCHEMBL4373758

SCHEMBL4373758

COc1ccccc1C1CCCC(CN(C)C)C1(O)Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.38
SLC6A4 P31645 11/20 0.38
OPRM1 P35372 7/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
OPRD1 P41143 5/20 0.38
OPRK1 P41145 3/20 0.38
SLC22A1 O15245 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
ATM Q13315 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
SCHEMBL4373762 0.82 SLC6A4 (0.41) SLC6A2SLC6A4OPRM1MEN1KMT2A
SCHEMBL4375443 0.81 SLC6A2 (0.48) SLC6A2SLC6A4OPRM1MEN1KMT2A
SCHEMBL4370360 0.74 SLC6A2 (0.48) SLC6A2SLC6A4OPRM1MEN1KMT2A
SCHEMBL4372256 0.70 OPRK1 (0.41) SLC6A2SLC6A4OPRM1MEN1KMT2A
SCHEMBL4372937 0.70 SLC6A4 (0.52) SLC6A2SLC6A4OPRM1MEN1KMT2A
SCHEMBL4369264 0.70 SMN1; SMN2 (0.42) SLC6A2SLC6A4OPRM1MEN1KMT2A
SCHEMBL4369347 0.69 SLC6A2 (0.48) SLC6A2SLC6A4OPRM1MEN1KMT2A
SCHEMBL4372403 0.68 AGER (0.39) SLC6A2SLC6A4OPRM1MEN1KMT2A
SCHEMBL4370231 0.67 SLC6A2 (0.46) SLC6A2SLC6A4OPRM1MEN1KMT2A
SCHEMBL4370558 0.67 SLC6A4 (0.36) SLC6A2SLC6A4OPRM1MEN1KMT2A

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-1322592-B2 SUBSTITUTED 1-AMINOBUTAN-3-OL DERIVATIVES GRUENENTHAL GMBH (DE) 2009-06-17 EP claimed
EP-1322592-B1 SUBSTITUTED 1-AMINOBUTAN-3-OL DERIVATIVES GRUENENTHAL GMBH (DE) 2004-07-28 EP claimed