SCHEMBL11214829

SCHEMBL11214829

CCCN(CCC)CC1Cc2c1ccc(OCc1ccccc1)c2OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 15/20 0.44
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40

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
SCHEMBL11212569 0.79 BCHE (0.42) BCHE
Hydrochloric Acid SCHEMBL9791968 0.78 HTR2C (0.48)
SCHEMBL22703437 0.70 DRD3 (0.62)
SCHEMBL22694040 0.70 DRD3 (0.62)
SCHEMBL7272088 0.70 FABP4 (0.43)
Hydrochloric Acid SCHEMBL7281139 0.68 SLC2A1 (0.47) BCHE
SCHEMBL11214217 0.66 ADRA2A (0.76) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7281304 0.66 TAAR1 (0.47)
Hydrochloric Acid SCHEMBL11215555 0.65 ADRA2A (0.74) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6215213 0.65 MAPT (0.67) BCHEADRA1DADRA1AADRA1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0043194-A2 Bicyclo-octatriene derivatives, pharmaceutical compositions containing them and processes and intermediates for their production FISONS plc (GB) 1982-01-06 EP claimed