SCHEMBL7957191

SCHEMBL7957191

Clc1ccc(C2=CCN(CCCc3nnc4n3CCOCC4)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.51
PARP1 P09874 4/20 0.45
HTR1A P08908 1/20 0.44
DRD2 P14416 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
SCHEMBL7949039 0.85 SIGMAR1 (0.53) SIGMAR1PARP1HTR1ADRD2
SCHEMBL8571894 0.84 SIGMAR1 (0.51) SIGMAR1PARP1HTR1ADRD2
SCHEMBL7961180 0.78 DRD2 (0.46) SIGMAR1PARP1HTR1ADRD2
SCHEMBL7964099 0.76 HPGD (0.53) SIGMAR1PARP1HTR1A
SCHEMBL7949425 0.76 LMNA (0.52) SIGMAR1PARP1DRD2
SCHEMBL7949533 0.75 GAA (0.50) SIGMAR1PARP1
SCHEMBL7957285 0.75 SIGMAR1 (0.53) SIGMAR1PARP1DRD2
SCHEMBL7959188 0.75 HPGD (0.51) SIGMAR1HTR1A
SCHEMBL7959347 0.74 LMNA (0.45) SIGMAR1PARP1DRD2
SCHEMBL7959719 0.73 SIGMAR1 (0.55) SIGMAR1PARP1HTR1A

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