SCHEMBL7960253

SCHEMBL7960253

Clc1cccc(C2CCN(CCCc3onc4c3CCCCC4)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
GRM2 Q14416 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MCHR1 Q99705 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
PARP1 P09874 2/20 0.38
PARP2 Q9UGN5 2/20 0.38
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 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
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 3/20 0.36

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 0.88 DRD2 (0.47) DRD2DRD4DRD3GRM2MCHR1
SCHEMBL7963834 0.87 DRD2 (0.48) DRD2DRD4DRD3GRM2MCHR1
SCHEMBL7964115 0.87 MCHR1 (0.38) DRD2DRD3MCHR1PARP1PARP2
SCHEMBL7963612 0.85 DRD4 (0.38) DRD2DRD4DRD3ALDH1A1MCHR1
SCHEMBL7960891 0.85 MCHR1 (0.36) DRD2DRD3MCHR1SIGMAR1PARP1
SCHEMBL7959539 0.85 OPRL1 (0.37) DRD2DRD3MCHR1HRH3
SCHEMBL7957446 0.84 DRD2 (0.50) DRD2SIGMAR1MEN1TP53CYP1A2
SCHEMBL7964142 0.82 DRD2 (0.43) DRD2PARP1PARP2
SCHEMBL7949118 0.82 MAPK1 (0.35) DRD2DRD4MCHR1SIGMAR1PARP1
SCHEMBL7959597 0.82 HTR1A (0.41) DRD4DRD3SIGMAR1PARP1PARP2

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