SCHEMBL7949530

SCHEMBL7949530

NNC(=O)NNCCCN1CCC(O)(c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.56
CCR1 P32246 6/20 0.47
DRD3 P35462 4/20 0.43
DRD4 P21917 1/20 0.43
FAAH O00519 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CNR1 P21554 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
SCHEMBL7961380 0.92 DRD2 (0.54) DRD2CCR1DRD3DRD4ADRA1D
SCHEMBL7959852 0.83 KDM4E (0.47) DRD2CCR1DRD3FAAHADRA1A
SCHEMBL7949532 0.83 DRD2 (0.66) DRD2CCR1DRD3DRD4ADRA1A
SCHEMBL7957164 0.81 DRD2 (0.56) DRD2CCR1
SCHEMBL7960074 0.81 DRD2 (0.62) DRD2CCR1ADRA1A
SCHEMBL7949574 0.80 DRD2 (0.46) DRD2DRD3DRD4
SCHEMBL7961470 0.80 DRD2 (0.49) DRD2CCR1
SCHEMBL7964042 0.80 DRD2 (0.46) DRD2CCR1DRD3DRD4
SCHEMBL7959911 0.79 CCR1 (0.45) DRD2CCR1DRD3DRD4
SCHEMBL7949042 0.78 CCR1 (0.52) DRD2CCR1

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