SCHEMBL10840554

SCHEMBL10840554

COc1ccccc1N1CCN(CCc2ccc(OC)c3c2CCCN3)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 2/20 0.55
▸ ADRA1A P35348 2/20 0.55
▸ ADRA1B P35368 2/20 0.55
▸ DRD2 P14416 3/20 0.52
▸ DRD3 P35462 1/20 0.50
▸ HTR1A P08908 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ SIGMAR1 Q99720 2/20 0.48
▸ DRD4 P21917 1/20 0.48

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
SCHEMBL10509713 0.92 ADRA1D (0.48) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL10838768 0.91 ADRA1D (0.52) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL10837909 0.89 ADRA1D (0.48) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL10839794 0.88 ADRA1A (0.45) ADRA1DADRA1AADRA1BDRD2HTR1A
SCHEMBL10840999 0.85 HTR1A (0.52) ADRA1DADRA1AADRA1BDRD3HTR1A
SCHEMBL10839824 0.81 ADRA1D (0.57) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL10839624 0.78 DRD2 (0.54) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL10506821 0.77 ADRA1D (0.52) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL10511914 0.76 ADRA1D (0.54) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL10509662 0.76 ADRA1D (0.51) ADRA1DADRA1AADRA1BDRD2HTR1A

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
US-4629728-A ANTIISCHEMIC AND -METABOLIC AGENTS ADIR S.A.R.L. (FR) 1986-12-16 — — US disclosed
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