SCHEMBL7959079

SCHEMBL7959079

O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1cc2c([nH]1)CCCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.58
HTR7 P34969 3/20 0.51
SOD1 P00441 1/20 0.50
KMT2A Q03164 1/20 0.49
DRD4 P21917 5/20 0.48
DRD2 P14416 4/20 0.48
DRD3 P35462 3/20 0.48
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HRH1 P35367 2/20 0.46
CHRM1 P11229 1/20 0.45
DRD1 P21728 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR2B P41595 1/20 0.45
HTR6 P50406 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL5009446 0.74 HTR1A (0.72) HTR1AHTR7SOD1KMT2ADRD4
SCHEMBL7957628 0.74 HTR1A (0.54) HTR1AHTR7SOD1DRD4DRD2
SCHEMBL7959076 0.71 HTR1A (0.56) HTR1AHTR7SOD1KMT2ADRD4
SCHEMBL18823660 0.71 HTR1A (0.56) HTR1A
SCHEMBL15996827 0.70 HTR1A (0.66) HTR1AHTR7SOD1KMT2ADRD4
SCHEMBL7960090 0.69 HTR1A (0.54) HTR1AHTR7SOD1KMT2ADRD4
SCHEMBL28930040 0.67 ALDH1A1 (0.66) HTR1ASOD1KMT2ADRD4DRD2
Hydrochloric Acid SCHEMBL6598101 0.67 HTR1A (0.98) HTR1AHTR7SOD1KMT2ADRD4
SCHEMBL3200010 0.67 CACNA1G (0.69) HTR1AHTR7DRD4DRD2DRD3
SCHEMBL7949281 0.67 CACNA1G (0.69) HTR1AHTR7DRD4DRD2DRD3

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-6187774-B1 N-PIPERAZINYLALKYLINDAZOLE DERIVATIVES; PSYCHOLOGICAL DISORDERS, SCHIZOPHRENIA; SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-02-13 US disclosed
EP-0885883-A1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-12-23 EP disclosed