SCHEMBL7961291

SCHEMBL7961291

Cc1ccc(C2CCN(CCCc3onc4c3CCCCC4)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.40
HRH1 P35367 2/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
MCHR1 Q99705 1/20 0.38
TP53 P04637 2/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL7963820 0.89 DRD2 (0.47) SIGMAR1DRD2DRD4DRD3MCHR1
SCHEMBL7963786 0.89 SIGMAR1 (0.40) SIGMAR1MCHR1TP53MEN1KMT2A
SCHEMBL7959434 0.89 DRD2 (0.50) SIGMAR1DRD2DRD4DRD3TP53
SCHEMBL7963834 0.88 DRD2 (0.48) SIGMAR1DRD2DRD4DRD3MCHR1
SCHEMBL7957446 0.84 DRD2 (0.50) SIGMAR1DRD2TP53SMN1; SMN2MEN1
SCHEMBL7960891 0.82 MCHR1 (0.36) SIGMAR1HRH1DRD2DRD3MCHR1
SCHEMBL7964115 0.82 MCHR1 (0.38) DRD2DRD3MCHR1PARP1PARP2
SCHEMBL7960253 0.82 DRD2 (0.43) SIGMAR1DRD2DRD4DRD3MCHR1
SCHEMBL7963959 0.81 MAPT (0.44) SIGMAR1HRH1SMN1; SMN2MEN1KMT2A
SCHEMBL7963612 0.81 DRD4 (0.38) DRD2DRD4DRD3MCHR1MEN1

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