SCHEMBL7957071

SCHEMBL7957071

NNC(=O)NNCCCN1CCC(c2cccc3ccccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.54
SLC6A4 P31645 1/20 0.54
HRH3 Q9Y5N1 1/20 0.48
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
DRD4 P21917 3/20 0.44
BCHE P06276 1/20 0.41
CCR2 P41597 4/20 0.40
ADRA1A P35348 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
DRD3 P35462 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
SCHEMBL7957582 0.85 OPRL1 (0.45) DRD2SLC6A4DRD4CCR2ADRA1A
SCHEMBL7067307 0.83 DRD2 (0.60) DRD2SLC6A4HRH3KDM4EHSD17B10
SCHEMBL7949574 0.83 DRD2 (0.46) DRD2SLC6A4DRD4CCR2HTR1A
SCHEMBL7957074 0.82 DRD2 (0.58) DRD2SLC6A4HRH3KDM4EHSD17B10
SCHEMBL7961375 0.81 SLC6A4 (0.54) DRD2SLC6A4HRH3DRD4ADRA1A
SCHEMBL7959852 0.78 KDM4E (0.47) DRD2SLC6A4KDM4EHSD17B10ADRA1A
SCHEMBL7967897 0.78 GLA (0.44) DRD2ADRA1ADRD3
SCHEMBL6848950 0.77 DRD2 (0.55) DRD2SLC6A4HRH3KDM4EHSD17B10
SCHEMBL7957632 0.77 CCR2 (0.42) DRD2DRD4CCR2DRD3
SCHEMBL7961177 0.77 OPRL1 (0.44) DRD2CCR2ADRA1A

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