SCHEMBL11253705

SCHEMBL11253705

COc1cc(-c2nc3ccccc3[nH]2)ccc1OCC(O)CNC(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.58
ADRB2 P07550 6/20 0.48
HTR1A P08908 2/20 0.48
ADRA2A P08913 2/20 0.48
SLC6A2 P23975 2/20 0.48
OPRM1 P35372 2/20 0.48
DRD3 P35462 2/20 0.48
DNM1 Q05193 1/20 0.48
ABCB11 O95342 1/20 0.48
PTGS1 P23219 1/20 0.48
ADRB1 P08588 5/20 0.47
CYP2D6 P10635 4/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 3/20 0.46
SLC6A4 P31645 3/20 0.46
HTR2B P41595 3/20 0.46
SIGMAR1 Q99720 3/20 0.46
NR2E1 Q9Y466 3/20 0.46
ADRB3 P13945 2/20 0.46
HTR2A P28223 2/20 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
SCHEMBL11249989 0.88 HPSE (0.51) ADRB2HTR1AADRA2ASLC6A2OPRM1
SCHEMBL11248636 0.83 ADRB2 (0.57) ADRB2SLC6A2PTGS1ADRB1CYP2D6
SCHEMBL12470605 0.78 ALOX5 (0.70) AMY1AALDH1A1SMN1; SMN2LMNANFKB1
SCHEMBL11256396 0.77 ADRB2 (0.51) ADRB2HTR1AADRA2ASLC6A2OPRM1
SCHEMBL6520239 0.76 PDE4A (0.67) AMY1AALDH1A1SMN1; SMN2LMNACDK4
SCHEMBL11257221 0.75
SCHEMBL9009625 0.75 AMY1A (0.52) AMY1ADRD3ALDH1A1SMN1; SMN2CDK4
Levomoprolol SCHEMBL80725 0.74 ADRB2 (0.74) ADRB2HTR1AADRA2ASLC6A2OPRM1
Moprolol SCHEMBL80724 0.74 ADRB2 (0.74) ADRB2HTR1AADRA2ASLC6A2OPRM1
Moprolol SCHEMBL30910938 0.74 ADRB2 (0.74) ADRB2HTR1AADRA2ASLC6A2OPRM1

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-4338330-A HYPOTENSIVE AGENTS CONTINENTAL PHARMA (BE) 1982-07-06 US disclosed