SCHEMBL11248586

SCHEMBL11248586

CCCN1CCc2cc(OC)c(O)cc2C1Cc1cc(OC)c(OC)cc1N

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.50
DRD1 P21728 2/20 0.50
TBXA2R P21731 1/20 0.47
KCNH2 Q12809 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
DRD3 P35462 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL11710814 0.87 DRD2 (0.65) DRD2DRD1KCNH2BCHEACHE
Hydrochloric Acid SCHEMBL11708619 0.86 DRD2 (0.64) DRD2DRD1KCNH2BCHEACHE
SCHEMBL11712556 0.79 BCHE (0.63) DRD2DRD1KCNH2BCHEACHE
Hydrochloric Acid SCHEMBL11707551 0.78 DRD2 (0.60) DRD2DRD1KCNH2BCHEACHE
SCHEMBL14740349 0.77 DRD2 (0.61) DRD2DRD1DRD3SIGMAR1
SCHEMBL11710629 0.75 DRD2 (0.64) DRD2DRD1KCNH2BCHEACHE
SCHEMBL13232384 0.74 LMNA (0.73) KDM4EALDH1A1ALOX15HSD17B10
SCHEMBL11638212 0.74 LMNA (0.73) KDM4EALDH1A1ALOX15HSD17B10
Bromide SCHEMBL11715068 0.74 DRD2 (0.62) DRD2DRD1KCNH2BCHEACHE
SCHEMBL462517 0.74 DRD2 (0.65) DRD2DRD1KCNH2BCHEACHE

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