SCHEMBL7276032

SCHEMBL7276032

CN1CC(c2ccccc2)(c2ccccc2)Oc2c(C(=O)O)cc(Cl)cc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.35
KMT2A Q03164 1/20 0.35
MYC P01106 2/20 0.35
NR4A1 P22736 1/20 0.35
MAPT P10636 1/20 0.34
SLC6A9 P48067 1/20 0.34
CYP3A4 P08684 1/20 0.33
CNR1 P21554 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
NOTUM Q6P988 1/20 0.33
EPHX2 P34913 1/20 0.32

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
SCHEMBL7276148 0.81 CYP3A4 (0.37) DRD2MYCNR4A1CYP3A4NOTUM
SCHEMBL7270171 0.79 HTR3A (0.57)
SCHEMBL9485099 0.71 NOTUM (0.38) KMT2AMYCNOTUM
SCHEMBL9488302 0.71 DRD2 (0.40) DRD2MAPTNOTUM
SCHEMBL7274861 0.70 DRD2 (0.51) DRD2MYCNR4A1CYP3A4NOTUM
Hydrochloric Acid SCHEMBL7270776 0.69 DRD2 (0.50) DRD2MYCNR4A1CYP3A4NOTUM
SCHEMBL9485028 0.68 FFAR4 (0.36) DRD2MYCNR4A1
SCHEMBL7279814 0.68 LMNA (0.41) MYCNR4A1CYP3A4NOTUM
SCHEMBL7270772 0.68 CYP3A4 (0.37) DRD2MYCNR4A1CYP3A4NOTUM
SCHEMBL7278134 0.68 AKR1B1 (0.38) DRD2MYCNR4A1MAPTCYP3A4

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