SCHEMBL10451679

SCHEMBL10451679

CN(C)C[C@@H]1CCCC[C@]1(O)Cc1c(F)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.45
SLC6A2 P23975 14/20 0.45
OPRM1 P35372 12/20 0.45
OPRD1 P41143 3/20 0.45
OPRK1 P41145 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SLC22A1 O15245 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
GAA P10253 1/20 0.39
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL10451711 1.00 SLC6A4 (0.45) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL10451681 1.00 SLC6A4 (0.45) SLC6A4SLC6A2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL10450226 0.99 SLC6A4 (0.44) SLC6A4SLC6A2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL10450224 0.99 SLC6A4 (0.44) SLC6A4SLC6A2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL10451848 0.99 SLC6A4 (0.44) SLC6A4SLC6A2OPRM1OPRD1OPRK1
Oxalic Acid SCHEMBL10450394 0.95 OPRM1 (0.42) SLC6A4SLC6A2OPRM1OPRD1OPRK1
Oxalic Acid SCHEMBL10450396 0.95 OPRM1 (0.42) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6941995 0.83 ESR1 (0.37) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL10450395 0.81 OPRM1 (0.41) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL10452094 0.81 SLC6A4 (0.45) SLC6A4SLC6A2OPRM1OPRD1OPRK1

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
US-4910323-A Chlorination using n-chlorosuccinimide HOECHST ROUSSEL PHARMACEUTICALS, INC. (US) 1990-03-20 US disclosed
US-4847414-A INTERMEDIATES FOR ANTIDEPRESSANTS, ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-07-11 US disclosed
US-4594435-A ANTIDEPRESSANTS; ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1986-06-10 US disclosed
US-4517311-A 2'-Substituted-spiro[benzofuran-2(3H),1'-cycloalkanes] and their analgesic and anti-depressant compositions HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-05-14 US disclosed
US-4404221-A ANALGESICS AND ATNIDEPRESSANTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-09-13 US disclosed
EP-0077536-A2 2'-Substituted-spiro(benzofuran-2(3H),1'-cycloalkanes), a process for preparing same, pharmaceutical compositions containing such compounds and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1983-04-27 EP disclosed