SCHEMBL7949039

SCHEMBL7949039

Clc1ccc(C2=CCN(CCCc3nnc4n3CCCCC4)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.53
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
PARP1 P09874 3/20 0.46
DRD2 P14416 1/20 0.44
GAA P10253 2/20 0.44
HTR1A P08908 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL7964099 0.90 HPGD (0.53) SIGMAR1HPGDHTTPARP1HTR1A
SCHEMBL7959188 0.89 HPGD (0.51) SIGMAR1HPGDGAAHTR1A
SCHEMBL7957285 0.89 SIGMAR1 (0.53) SIGMAR1PARP1DRD2
SCHEMBL7949425 0.89 LMNA (0.52) SIGMAR1HPGDHTTPARP1DRD2
SCHEMBL7949533 0.89 GAA (0.50) SIGMAR1HPGDPARP1GAAPKM
SCHEMBL7959347 0.87 LMNA (0.45) SIGMAR1HPGDHTTPARP1DRD2
SCHEMBL7959719 0.87 SIGMAR1 (0.55) SIGMAR1PARP1HTR1A
SCHEMBL7957191 0.85 SIGMAR1 (0.51) SIGMAR1PARP1DRD2HTR1A
SCHEMBL8571894 0.85 SIGMAR1 (0.51) SIGMAR1PARP1DRD2HTR1A
SCHEMBL7958937 0.85 PKM (0.52) SIGMAR1HPGDHTTPARP1GAA

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