SCHEMBL7699893

SCHEMBL7699893

COc1cccc(C23CCN(C)C[C@@H]2CCC(=O)C3)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.58
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
OPRM1 P35372 5/20 0.56
OPRD1 P41143 5/20 0.56
OPRK1 P41145 5/20 0.56
SIGMAR1 Q99720 3/20 0.51
KMT2A Q03164 1/20 0.48
CTSD P07339 1/20 0.44
CTSE P14091 1/20 0.44
BACE1 P56817 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.43
MRGPRX2 Q96LB1 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL8656342 1.00 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL11391861 1.00 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL8434553 1.00 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
Ethylene SCHEMBL11397601 0.98 OPRM1 (0.56) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL8396855 0.87 OPRD1 (0.76) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL11398571 0.87 OPRD1 (0.76) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL8396856 0.87 OPRD1 (0.76) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL7486453 0.86 OPRM1 (0.60) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL11403981 0.86 OPRD1 (0.55) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL7486456 0.86 OPRM1 (0.60) SLC6A4SLC6A2SLC6A3OPRM1OPRD1

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
US-6337330-B1 Antitussives TORAY INDUSTRIES, INC. (JP) 2002-01-08 US disclosed
EP-0998928-A1 ANTITUSSIVES TORAY INDUSTRIES, INC. (JP) 2000-05-10 EP disclosed