SCHEMBL7961180

SCHEMBL7961180

Clc1ccc(C2CCN(CCCc3nnc4n3CCOCC4)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.46
DRD3 P35462 5/20 0.43
HTR1A P08908 3/20 0.43
HTR2A P28223 3/20 0.43
PARP1 P09874 1/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
SIGMAR1 Q99720 1/20 0.39
MCHR1 Q99705 3/20 0.39
SLC2A1 P11166 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD4 P21917 2/20 0.39
GRM2 Q14416 1/20 0.39
CX3CR1 P49238 1/20 0.38

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
SCHEMBL7957361 0.85 DRD2 (0.48) DRD2DRD3HTR1AHTR2APARP1
Hydrochloric Acid SCHEMBL8570980 0.84 DRD2 (0.47) DRD2DRD3HTR1AHTR2APARP1
SCHEMBL8569171 0.83 DRD2 (0.46) DRD2DRD3HTR1AHTR2APARP1
SCHEMBL7957191 0.78 SIGMAR1 (0.51) DRD2HTR1APARP1SIGMAR1
SCHEMBL7957664 0.74 KDM4E (0.51) DRD3HTR1AHTR2ASIGMAR1ADRA2A
SCHEMBL7959702 0.74 TSHR (0.51) DRD3HTR1AHTR2ASIGMAR1ADRA2A
SCHEMBL7957315 0.74 LMNA (0.51) DRD2DRD3HTR1AHTR2APARP1
SCHEMBL7959264 0.74 LMNA (0.53) DRD2DRD3HTR1AHTR2APARP1
SCHEMBL7964136 0.73 GAA (0.52) DRD2DRD3HTR1AHTR2ASIGMAR1
SCHEMBL7949249 0.72 DRD2 (0.51) DRD2DRD3HTR1AHTR2AADRA2A

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