SCHEMBL7963985

SCHEMBL7963985

NNC(=O)NNCCCN1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.52
CCR2 P41597 5/20 0.52
ADRA1A P35348 10/20 0.49
ADRA1B P35368 10/20 0.49
ADRA1D P25100 9/20 0.49
HRH1 P35367 2/20 0.48
HTR1A P08908 2/20 0.48
HTR2A P28223 2/20 0.48
DRD3 P35462 2/20 0.48
CCR3 P51677 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48

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
SCHEMBL7957650 0.88 ADRA1A (0.56) DRD2ADRA1AADRA1BADRA1DHRH1
SCHEMBL7960161 0.88 CCR2 (0.53) DRD2CCR2HTR1AHTR2ADRD3
SCHEMBL7961236 0.88 CCR2 (0.46) DRD2CCR2ADRA1AADRA1BADRA1D
SCHEMBL7964064 0.86 CCR2 (0.48) DRD2CCR2ADRA1AADRA1BADRA1D
SCHEMBL7949640 0.85 DRD2 (0.54) DRD2CCR2ADRA1AADRA1BADRA1D
SCHEMBL7963813 0.85 ADRA1A (0.47) DRD2CCR2ADRA1AADRA1BADRA1D
SCHEMBL7961375 0.82 SLC6A4 (0.54) DRD2ADRA1AADRA1BADRA1DDRD3
SCHEMBL7963986 0.81 DRD2 (0.62) DRD2CCR2ADRA1AHTR1AHTR2A
SCHEMBL7961256 0.81 CCR2 (0.39) DRD2CCR2ADRA1AADRA1BADRA1D
SCHEMBL7949578 0.80 DRD2 (0.46) DRD2CCR2ADRA1AADRA1BADRA1D

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