SCHEMBL7960161

SCHEMBL7960161

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.53
DRD2 P14416 7/20 0.52
MCHR1 Q99705 4/20 0.49
DRD3 P35462 5/20 0.48
DRD4 P21917 1/20 0.48
HTR1A P08908 3/20 0.48
HTR2A P28223 3/20 0.48
DRD1 P21728 1/20 0.46
DRD5 P21918 1/20 0.46
PRCP P42785 1/20 0.45
KCNH2 Q12809 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
SCHEMBL7957650 0.88 ADRA1A (0.56) DRD2MCHR1DRD3DRD4
SCHEMBL7963985 0.88 DRD2 (0.52) CCR2DRD2DRD3HTR1AHTR2A
SCHEMBL7961236 0.88 CCR2 (0.46) CCR2DRD2PRCP
SCHEMBL7964064 0.88 CCR2 (0.48) CCR2DRD2DRD3HTR1AHTR2A
SCHEMBL7949578 0.87 DRD2 (0.46) CCR2DRD2MCHR1DRD3HTR1A
SCHEMBL7949640 0.85 DRD2 (0.54) CCR2DRD2
SCHEMBL7961256 0.85 CCR2 (0.39) CCR2DRD2MCHR1
SCHEMBL7963813 0.85 ADRA1A (0.47) CCR2DRD2
SCHEMBL7957632 0.83 CCR2 (0.42) CCR2DRD2DRD3DRD4
SCHEMBL7961177 0.83 OPRL1 (0.44) CCR2DRD2MCHR1

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