SCHEMBL8714817

SCHEMBL8714817

CCCCCN1C2COCC1CC(N)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.40
GNAO1 P09471 2/20 0.40
GNAI1 P63096 2/20 0.40
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
GUSB P08236 2/20 0.33
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SPHK2 Q9NRA0 3/20 0.30
SPHK1 Q9NYA1 3/20 0.30

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
SCHEMBL8717806 1.00 GNAI3 (0.40) GNAI3GNAO1GNAI1OPRM1OPRD1
SCHEMBL8719615 0.98 GNAI3 (0.42) GNAI3GNAO1GNAI1OPRM1OPRD1
SCHEMBL8719610 0.98 GNAI3 (0.42) GNAI3GNAO1GNAI1OPRM1OPRD1
SCHEMBL11242228 0.98 GNAI3 (0.42) GNAI3GNAO1GNAI1OPRM1OPRD1
SCHEMBL8714046 0.95 SLC6A3 (0.35) GNAI3GNAO1GNAI1CHRM1SLC6A2
SCHEMBL8714043 0.95 SLC6A3 (0.35) GNAI3GNAO1GNAI1CHRM1SLC6A2
SCHEMBL8714421 0.89 ALDH1A1 (0.38) ALDH1A1
SCHEMBL8714425 0.89 ALDH1A1 (0.38) ALDH1A1
SCHEMBL21755248 0.81 OPRM1 (0.40) GNAI3GNAO1GNAI1OPRM1OPRD1
SCHEMBL11233388 0.79 GBA1 (0.30)

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-0708105-B1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO (JP) 1998-12-23 EP disclosed
EP-0708105-A1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-04-24 EP disclosed