SCHEMBL7957576

SCHEMBL7957576

OC1(c2ccc(Br)cc2)CCN(CCCc2nnc3n2CCCCC3)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
DRD2 P14416 5/20 0.44
HTR1A P08908 4/20 0.44
HTR2A P28223 4/20 0.44
DRD3 P35462 4/20 0.44
SLC6A4 P31645 3/20 0.44
HTR2B P41595 3/20 0.44
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA1A P35348 2/20 0.44
SLC6A2 P23975 2/20 0.44
HRH1 P35367 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
NR1I2 O75469 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44

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
SCHEMBL7959708 0.90 DRD2 (0.55) DRD2HTR1AHTR2ADRD3SLC6A4
SCHEMBL7961346 0.90 HSD11B1 (0.50) TSHRDRD2HTR1AHTR2ADRD3
SCHEMBL7959437 0.87 LMNA (0.51) HTR1AHTR2ADRD3SLC6A4HTR2B
SCHEMBL7960241 0.84 CCR1 (0.48) TSHRDRD2HTR1AHTR2ADRD3
SCHEMBL7957371 0.82 LMNA (0.52) GAADRD2HTR1AHTR2ADRD3
SCHEMBL7959210 0.82 DRD2 (0.45) GAADRD2HTR1AHTR2ADRD3
SCHEMBL7959714 0.82 GAA (0.50) GAADRD2HTR1AHTR2ADRD3
SCHEMBL7957541 0.80 OPRM1 (0.58) DRD2HTR1AHTR2ADRD3SLC6A4
SCHEMBL7957105 0.80 DRD2 (0.46) GAATSHRDRD2HTR1AHTR2A
SCHEMBL7959304 0.80 CCR1 (0.46) GAATSHRHTR1AHTR2ADRD3

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