SCHEMBL7961237

SCHEMBL7961237

NNC(=O)CCCN1CCC(c2ccc(Br)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.52
DRD2 P14416 3/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 1/20 0.45
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAD52 P43351 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2J2 P51589 1/20 0.43
MCHR1 Q99705 2/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL7957652 0.87 DRD2 (0.55) PRCPDRD2LMNAPOLBHTT
SCHEMBL7960163 0.87 DRD2 (0.62) PRCPDRD2DRD4DRD3MCHR1
SCHEMBL7963986 0.87 DRD2 (0.62) PRCPDRD2POLBHTTDRD3
SCHEMBL7949642 0.84 DRD2 (0.59) DRD2POLBHTTSIGMAR1CYP2J2
SCHEMBL7961236 0.81 CCR2 (0.46) PRCPDRD2
SCHEMBL7961377 0.81 DRD2 (0.58) PRCPDRD2HTTDRD4SIGMAR1
SCHEMBL7963815 0.79 DRD2 (0.50) PRCPDRD2DRD4DRD3MCHR1
SCHEMBL7964065 0.79 DRD2 (0.53) PRCPDRD2DRD4DRD3MCHR1
SCHEMBL28442559 0.79 SIGMAR1 (0.66) PRCPDRD2LMNAPOLBHTT
SCHEMBL7949583 0.78 DRD2 (0.54) PRCPDRD2POLBDRD4DRD3

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