SCHEMBL7269453

SCHEMBL7269453

CCN1CCOc2c(C(=O)O)cc(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.41
PTGER3 P43115 1/20 0.37
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MYC P01106 2/20 0.35
NR4A1 P22736 1/20 0.35
NOTUM Q6P988 1/20 0.35
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7269017 0.87 DRD2 (0.50) DRD2LMNA
SCHEMBL7275959 0.87 DRD2 (0.38) DRD2ALDH1A1HPGDHSD17B10MYC
SCHEMBL7268995 0.83 SLC5A2 (0.44) DRD2MYCAKR1C3MAPT
SCHEMBL7278170 0.83 DRD2 (0.46) DRD2
SCHEMBL7274861 0.82 DRD2 (0.51) DRD2MYCNR4A1NOTUMAKR1C4
Hydrochloric Acid SCHEMBL7270776 0.81 DRD2 (0.50) DRD2MYCNR4A1NOTUMAKR1C4
SCHEMBL7270656 0.80 DRD2 (0.52) DRD2ALDH1A1MAPT
SCHEMBL7270723 0.80 GAA (0.40) DRD2ALDH1A1HPGDHTTMAPT
SCHEMBL7268755 0.80 MAPT (0.43) ALDH1A1MAPT
SCHEMBL7275808 0.80 NOTUM (0.53) DRD2NOTUMAKR1C4AKR1C3AKR1C2

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