SCHEMBL7960945

SCHEMBL7960945

OC(CCN1CCN(c2ccc(Cl)cc2)CC1)c1c[nH]c2c1CCCC2

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.55
DRD4 P21917 4/20 0.46
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
DRD2 P14416 2/20 0.40
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
HTR2A P28223 1/20 0.39
DRD3 P35462 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL7960011 0.76 SIGMAR1 (0.52) HTR1ADRD4KDM4EGAADRD2
SCHEMBL7960186 0.73 HTR1A (0.54) HTR1ADRD4KDM4EGAADRD2
SCHEMBL6599536 0.68 HTR1A (1.00) HTR1A
SCHEMBL6598139 0.68 HTR1A (1.00) HTR1ADRD4DRD2DRD3
SCHEMBL14440419 0.67 HTR1A (0.61) HTR1ADRD4KDM4EGAADRD2
SCHEMBL10366646 0.65 KDM4E (0.61) HTR1ADRD4KDM4EGAADRD2
SCHEMBL7961060 0.65 HTR1A (0.54) HTR1ADRD2DRD1DRD5HTR2A
SCHEMBL7961169 0.65 MAPT (0.45) HTR1ADRD2
SCHEMBL18754269 0.65 KDM4E (0.75) HTR1ADRD4KDM4EGAADRD2
SCHEMBL10486189 0.65 KCNH2 (0.70) HTR1ADRD2DRD1DRD5HTR2A

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