SCHEMBL7447203

SCHEMBL7447203

CNCC1=CC(c2ccccc2)Cc2c1ccc(O)c2O.COc1ccc2c(c1OC)CC(c1ccccc1)C=C2CN

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
DRD1 P21728 4/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CETP P11597 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL7310836 0.85 ACHE (0.43) ACHEKDM1AMAOBKDM4E
Hydrochloric Acid SCHEMBL7310685 0.84 ACHE (0.42) ACHEKDM1AMAOBKDM4E
SCHEMBL7318591 0.84 DRD1 (0.36) DRD1KDM4ETP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7318180 0.83 DRD1 (0.35) DRD1KDM4ETP53CYP1A2CYP3A4
SCHEMBL9802431 0.82 MAPT (0.39) KDM4EMAPTHSD17B10CETPHDAC4
Hydrochloric Acid SCHEMBL9802239 0.81 MAPT (0.38) KDM4EMAPTHSD17B10CETP
SCHEMBL7308845 0.81 DRD1 (0.43) DRD1KDM4ETP53CYP1A2CYP3A4
Bromide SCHEMBL7318319 0.80 DRD1 (0.42) DRD1KDM4ETP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7307954 0.80 DRD1 (0.42) DRD1KDM4ETP53CYP1A2CYP3A4
SCHEMBL7442264 0.74 KDM4E (0.36) KDM4EHSD17B10

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
WO-1996038435-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1996-12-05 WO disclosed