SCHEMBL7278312

SCHEMBL7278312

O=C(O)c1cc(Cl)cc2c1OCCN2Cc1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.43
BRD4 O60885 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.40
DRD2 P14416 2/20 0.39
CYP2A13 Q16696 1/20 0.39
CCR2 P41597 1/20 0.39
ADRA1D P25100 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL7278170 0.88 DRD2 (0.46) CYP2D6CYP2C19POLBBRD4DRD2
SCHEMBL7268995 0.83 SLC5A2 (0.44) DRD2MAPT
SCHEMBL7271086 0.82 MAPT (0.44) CYP2C19HTTDRD2CCR2MAPT
SCHEMBL7270723 0.81 GAA (0.40) POLBGAAHTTTP53DRD2
SCHEMBL7270656 0.81 DRD2 (0.52) DRD2ADRA1DMAPT
SCHEMBL7269453 0.79 DRD2 (0.41) HTTDRD2MAPT
SCHEMBL7268755 0.78 MAPT (0.43) SIRT2SIRT1GAATP53CCR2
Fumaric Acid SCHEMBL7276049 0.77 HTR3A (0.54) CYP1A2
Fumaric Acid SCHEMBL7276059 0.77 HTR3A (0.54) CYP1A2
SCHEMBL7275959 0.77 DRD2 (0.38) DRD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407137-B1 Benzazine compounds and pharmaceutical uses thereof YOSHITOMI PHARMACEUTICAL (JP) 1996-05-01 EP disclosed
US-5185333-A Dopamine D2 receptor blocking agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-02-09 US disclosed
EP-0407137-A2 Benzazine compounds and pharmaceutical uses thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-01-09 EP disclosed