SCHEMBL11544863

SCHEMBL11544863

Cc1cccc(OCC2CCN(CC(O)COc3cccc4[nH]ncc34)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 1/20 0.49
DRD4 P21917 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
HTR1A P08908 5/20 0.47
DRD2 P14416 2/20 0.47
ADRB2 P07550 3/20 0.46
ADRB1 P08588 3/20 0.46
ADRB3 P13945 3/20 0.46

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
SCHEMBL11537535 0.90 DRD4 (0.56) MAPTDRD4L3MBTL1DRD2ADRB2
SCHEMBL11541942 0.84 GAA (0.51) GAATSHRKMT2AMEN1MAPT
SCHEMBL11380697 0.83 ADRB3 (0.68) DRD4ADRB2ADRB1ADRB3
SCHEMBL11369754 0.82 ADRB2 (0.50) TSHRMAPTDRD4HTR1ADRD2
SCHEMBL11372455 0.81 GAA (0.49) GAATSHRKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL11374081 0.80 KMT2A (0.50) GAATSHRKMT2AMEN1MAPT
SCHEMBL11240124 0.80 KMT2A (0.53) GAATSHRKMT2AMEN1MAPT
SCHEMBL11542048 0.80 DRD4 (0.46) GAAKMT2AMEN1DRD4L3MBTL1
Hydrochloric Acid SCHEMBL11544827 0.79 KMT2A (0.55) GAATSHRKMT2AMEN1MAPT
SCHEMBL11539813 0.79 DRD4 (0.49) KMT2AMEN1DRD4L3MBTL1DRD2

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 claimed