SCHEMBL11823744

SCHEMBL11823744

COc1ccc2c(c1)CCc1ccc(OC)cc1CN(C)CC2

nearest known ligand 0.90

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 9/20 0.85
DRD5 P21918 8/20 0.85
DRD2 P14416 7/20 0.75
DRD3 P35462 7/20 0.75
DRD4 P21917 5/20 0.71
MAOA P21397 2/20 0.64
MAOB P27338 2/20 0.64
SLC6A4 P31645 1/20 0.64
SIGMAR1 Q99720 2/20 0.60
RYR2 Q92736 1/20 0.56
HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL11819711 1.00 DRD1 (0.85) DRD1DRD5DRD2DRD3DRD4
SCHEMBL4317508 0.96 DRD1 (0.79) DRD1DRD5DRD2DRD3DRD4
SCHEMBL29843474 0.96 DRD1 (0.79) DRD1DRD5DRD2DRD3DRD4
SCHEMBL29515933 0.95 DRD1 (0.88) DRD1DRD5DRD2DRD3DRD4
SCHEMBL14340583 0.95 DRD1 (0.88) DRD1DRD5DRD2DRD3DRD4
SCHEMBL3698679 0.93 DRD1 (0.86) DRD1DRD5DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL10702384 0.91 DRD1 (0.83) DRD1DRD5DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL11815090 0.90 DRD1 (0.70) DRD1DRD5DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL11819858 0.87 DRD1 (0.74) DRD1DRD5DRD2DRD3DRD4
SCHEMBL5123364 0.86 DRD1 (0.76) DRD1DRD5DRD2DRD3DRD4

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-3932384-A CNS DEPRESSANTS, ANALGESICS, SEDATIVES SHIONOGI & CO., LTD. (JA) 1976-01-13 US disclosed