SCHEMBL10423481

SCHEMBL10423481

Cc1cccc(N2CCN(CCCCc3ccc(/C(CCC(=O)O)=N\O)cc3)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.54
HTR1A P08908 9/20 0.54
DRD3 P35462 8/20 0.54
KCNH2 Q12809 2/20 0.52
HTR2C P28335 5/20 0.46
DRD4 P21917 7/20 0.46
DRD2 P14416 4/20 0.46
HTR7 P34969 4/20 0.46
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
HTR2B P41595 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
HRH1 P35367 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40

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
SCHEMBL10423484 1.00 HTR2A (0.54) HTR2AHTR1ADRD3KCNH2HTR2C
SCHEMBL10422756 0.83 MEN1 (0.54) HTR2AHTR1ADRD3HTR2CDRD4
SCHEMBL10422758 0.83 MEN1 (0.54) HTR2AHTR1ADRD3HTR2CDRD4
SCHEMBL10422112 0.83 AR (0.52) HTR2ADRD3HTR2CDRD4DRD2
SCHEMBL10422111 0.83 AR (0.52) HTR2ADRD3HTR2CDRD4DRD2
SCHEMBL10422750 0.82 DRD4 (0.64) HTR2AHTR1ADRD3HTR2CDRD4
SCHEMBL10422751 0.82 DRD4 (0.64) HTR2AHTR1ADRD3HTR2CDRD4
SCHEMBL10423890 0.82 SIGMAR1 (0.60) HTR2AHTR1ADRD3KCNH2HTR2C
SCHEMBL10423891 0.82 SIGMAR1 (0.60) HTR2AHTR1ADRD3KCNH2HTR2C
SCHEMBL10422752 0.82 KCNH2 (0.54) HTR2AHTR1ADRD3KCNH2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4931443-A ANTIPSYCHOTIC AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-06-05 US disclosed
EP-0288575-A1 PIPERAZINE COMPOUNDS AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1988-11-02 EP disclosed