SCHEMBL11249690

SCHEMBL11249690

CN1CCc2cc3c(c4c2C1Cc1c(O)cccc1-4)OCO3

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.76
POLB P06746 3/20 0.73
CASP6 P55212 2/20 0.73
KMT2A Q03164 2/20 0.73
MEN1 O00255 1/20 0.73
APAF1 O14727 1/20 0.73
GAA P10253 1/20 0.73
RAB9A P51151 1/20 0.73
CASP7 P55210 1/20 0.73
DYRK1A Q13627 1/20 0.73
ADRA1D P25100 1/20 0.73
ADRA1A P35348 1/20 0.73
ADRA1B P35368 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
HTR2A P28223 1/20 0.65
HTR2C P28335 1/20 0.65
HTR2B P41595 1/20 0.65
KDM4E B2RXH2 3/20 0.63
LMNA P02545 3/20 0.63
MAPT P10636 2/20 0.60

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
Stephanine SCHEMBL29543045 0.87 DRD2 (1.00) DRD2POLBCASP6KMT2AMEN1
Stephanine SCHEMBL25472587 0.87 DRD2 (1.00) DRD2POLBCASP6KMT2AMEN1
Stephanine SCHEMBL27780270 0.87 DRD2 (1.00) DRD2POLBCASP6KMT2AMEN1
Pukateine SCHEMBL30373684 0.85 KDM4E (0.74) DRD2POLBCASP6KMT2AMEN1
Pukateine SCHEMBL674930 0.85 KDM4E (0.74) DRD2POLBCASP6KMT2AMEN1
Roemerine SCHEMBL678048 0.85 DRD2 (1.00) DRD2POLBCASP6KMT2AMEN1
Roemerine SCHEMBL673805 0.85 DRD2 (1.00) DRD2POLBCASP6KMT2AMEN1
Roemerine SCHEMBL30047645 0.85 DRD2 (1.00) DRD2POLBCASP6KMT2AMEN1
Roemerine SCHEMBL30047807 0.85 DRD2 (1.00) DRD2POLBCASP6KMT2AMEN1
Roemerine SCHEMBL17906539 0.85 DRD2 (1.00) DRD2POLBCASP6KMT2AMEN1

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-4309542-A WITH A TRIMETHYLPHENYLAMMONIUM BASE WARNER-LAMBERT COMPANY (US) 1982-01-05 US disclosed