SCHEMBL7957541

SCHEMBL7957541

OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCc2nnc3n2CCCCC3)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.58
OPRK1 P41145 9/20 0.58
HTR1A P08908 8/20 0.58
DRD2 P14416 8/20 0.58
DRD4 P21917 8/20 0.58
HTR2A P28223 8/20 0.58
HTR2C P28335 8/20 0.58
HTR7 P34969 8/20 0.58
HTR1D P28221 7/20 0.58
HRH2 P25021 6/20 0.58
HRH1 P35367 5/20 0.58
OPRD1 P41143 8/20 0.54
DRD3 P35462 7/20 0.54
HTR2B P41595 7/20 0.54
DRD1 P21728 6/20 0.54
DRD5 P21918 6/20 0.54
SLC6A2 P23975 6/20 0.54
SLC6A4 P31645 6/20 0.54
HTR6 P50406 6/20 0.54
SLC6A3 Q01959 6/20 0.54

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
SCHEMBL7959210 0.88 DRD2 (0.45) OPRM1OPRK1HTR1ADRD2DRD4
SCHEMBL7957371 0.86 LMNA (0.52) OPRM1OPRK1HTR1ADRD2DRD4
SCHEMBL7963703 0.84 HSD11B1 (0.41) OPRM1OPRK1HTR1ADRD2DRD4
SCHEMBL7959708 0.84 DRD2 (0.55) OPRM1HTR1ADRD2DRD4HTR2A
SCHEMBL7959714 0.83 GAA (0.50) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL7960241 0.81 CCR1 (0.48) OPRM1HTR1ADRD2DRD4HTR2A
SCHEMBL7961346 0.80 HSD11B1 (0.50) HTR1ADRD2HTR2AHTR2CHRH1
SCHEMBL7957576 0.80 GAA (0.49) OPRM1OPRK1HTR1ADRD2DRD4
SCHEMBL14282239 0.80 OPRM1 (0.76) OPRM1OPRK1HTR1ADRD2DRD4
SCHEMBL7957105 0.79 DRD2 (0.46) HTR1ADRD2DRD4HTR2AHTR2C

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