SCHEMBL7963820

SCHEMBL7963820

Clc1ccc(C2CCN(CCCc3onc4c3CCCCC4)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.47
MCHR1 Q99705 3/20 0.46
DRD3 P35462 5/20 0.43
HTR1A P08908 3/20 0.43
HTR2A P28223 3/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
PARP1 P09874 1/20 0.43
DRD4 P21917 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SLC2A1 P11166 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRA2A P08913 1/20 0.39
GRM2 Q14416 1/20 0.39
CX3CR1 P49238 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
SCHEMBL7963834 0.99 DRD2 (0.48) DRD2MCHR1DRD3HTR1AHTR2A
SCHEMBL7963786 0.89 SIGMAR1 (0.40) MCHR1MEN1KMT2ASIGMAR1
SCHEMBL7961291 0.89 SIGMAR1 (0.40) DRD2MCHR1DRD3PARP1DRD4
SCHEMBL7964115 0.88 MCHR1 (0.38) DRD2MCHR1DRD3HTR1AHTR2A
SCHEMBL7960253 0.88 DRD2 (0.43) DRD2MCHR1DRD3PARP1DRD4
SCHEMBL7959434 0.87 DRD2 (0.50) DRD2DRD3DRD4SIGMAR1
SCHEMBL7960891 0.86 MCHR1 (0.36) DRD2MCHR1DRD3HTR1AHTR2A
SCHEMBL7963612 0.85 DRD4 (0.38) DRD2MCHR1DRD3DRD4MEN1
SCHEMBL7959539 0.84 OPRL1 (0.37) DRD2MCHR1DRD3HTR1AHTR2A
SCHEMBL7949118 0.84 MAPK1 (0.35) DRD2MCHR1HTR1AHTR2APARP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885883-A1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-12-23 EP claimed
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