SCHEMBL5880550

SCHEMBL5880550

CN(C)CC1CCCCC1(O)c1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.62
SLC6A2 P23975 14/20 0.62
OPRM1 P35372 13/20 0.62
OPRD1 P41143 3/20 0.62
OPRK1 P41145 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
SLC22A1 O15245 2/20 0.58
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TRPA1 O75762 1/20 0.43

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
SCHEMBL5880585 0.99 SLC6A4 (0.61) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL5880606 0.99 SLC6A4 (0.61) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL5880594 0.96 SLC6A4 (0.56) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL150032 0.85 SLC6A4 (0.73) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL28739210 0.84 SLC6A4 (0.64) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL5205111 0.84 SLC6A4 (0.64) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL28739224 0.83 SLC6A4 (0.62) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL28739239 0.83 SLC6A4 (0.62) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL28739230 0.83 SLC6A4 (0.62) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6943206 0.83 SLC6A4 (0.62) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006523182-A 2006-10-12 JP claimed
EP-1572653-A1 SATURATED AND UNSATURATED HETEROARYLCYCLOALKYLMETHYL AMINES AS ANTI-DEPRESSANTS Grünenthal GmbH (DE) 2005-09-14 EP claimed
WO-2004063161-A1 SATURATED AND UNSATURATED HETEROARYLCYCLOALKYLMETHYL AMINES AS ANTI-DEPRESSANTS Grünenthal GmbH (DE) 2004-07-29 WO claimed
EP-1572653-A1 SATURATED AND UNSATURATED HETEROARYLCYCLOALKYLMETHYL AMINES AS ANTI-DEPRESSANTS Grünenthal GmbH (DE) 2005-09-14 EP disclosed
WO-2004063161-A1 SATURATED AND UNSATURATED HETEROARYLCYCLOALKYLMETHYL AMINES AS ANTI-DEPRESSANTS Grünenthal GmbH (DE) 2004-07-29 WO disclosed