SCHEMBL11537149

SCHEMBL11537149

OC(COc1cccc2[nH]nnc12)CN1CCC(COc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.52
DRD2 P14416 5/20 0.51
DRD3 P35462 3/20 0.51
ADRB2 P07550 4/20 0.51
ADRB1 P08588 4/20 0.51
ADRB3 P13945 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.46
ABCB1 P08183 2/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.45

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
Hydrochloric Acid SCHEMBL11538648 0.99 L3MBTL1 (0.51) DRD4DRD2DRD3ADRB2ADRB1
SCHEMBL11541942 0.90 GAA (0.51) DRD4DRD2ADRB2ADRB1ADRB3
SCHEMBL11574132 0.89 ADRB1 (0.49) DRD4DRD2DRD3ADRB2ADRB1
SCHEMBL11538680 0.87 KMT2A (0.50) DRD4DRD2DRD3L3MBTL1GAA
SCHEMBL11499199 0.86 DRD4 (0.53) DRD4DRD2DRD3ADRB2ADRB1
SCHEMBL11542265 0.84 ADRB2 (0.54) DRD4DRD2DRD3ADRB2ADRB1
SCHEMBL11539298 0.83 P2RY1 (0.39) DRD4DRD2ADRB2ADRB1ADRB3
SCHEMBL11537535 0.83 DRD4 (0.56) DRD4DRD2DRD3ADRB2ADRB1
Hydrochloric Acid SCHEMBL11544679 0.82 P2RY1 (0.39) DRD4DRD2ADRB2ADRB1ADRB3
Mindodilol SCHEMBL2107921 0.81 ADRB2 (0.63) DRD4DRD2ADRB2ADRB1ADRB3

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-4146630-A HYPOTENSIVE AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1979-03-27 US disclosed