SCHEMBL7269017

SCHEMBL7269017

CCCCN1CCOc2c(C(=O)O)cc(Cl)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.50
HTR2C P28335 2/20 0.37
HTR3A P46098 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTR4 Q13639 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
LMNA P02545 1/20 0.36
ADRA2A P08913 1/20 0.36
THRB P10828 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2A P28223 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL7269453 0.87 DRD2 (0.41) DRD2LMNA
SCHEMBL7275959 0.82 DRD2 (0.38) DRD2HTR2CHTR2AHTR2B
SCHEMBL7270656 0.81 DRD2 (0.52) DRD2SIGMAR1
SCHEMBL7274861 0.80 DRD2 (0.51) DRD2HTR3ACYP1A2CYP3A4HTR2A
Hydrochloric Acid SCHEMBL7270776 0.79 DRD2 (0.50) DRD2HTR3ACYP1A2CYP3A4HTR2A
SCHEMBL7278170 0.79 DRD2 (0.46) DRD2CYP2D6CYP2C9
SCHEMBL7268995 0.79 SLC5A2 (0.44) DRD2
SCHEMBL9485223 0.79 DRD2 (0.36) DRD2
SCHEMBL7270723 0.76 GAA (0.40) DRD2
SCHEMBL7268755 0.76 MAPT (0.43) THRB

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