SCHEMBL7964099

SCHEMBL7964099

Cc1ccc(C2=CCN(CCCc3nnc4n3CCCCC4)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
SIGMAR1 Q99720 4/20 0.52
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46
PARP1 P09874 1/20 0.46
GFER P55789 1/20 0.45
MAPT P10636 1/20 0.43
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 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
SCHEMBL7959188 0.90 HPGD (0.51) HPGDSIGMAR1KDM4EL3MBTL1CHRM2
SCHEMBL7949039 0.90 SIGMAR1 (0.53) HPGDSIGMAR1HTR1APARP1HTT
SCHEMBL7957285 0.90 SIGMAR1 (0.53) SIGMAR1PARP1MAPK1NPSR1POLB
SCHEMBL7959719 0.90 SIGMAR1 (0.55) SIGMAR1KDM4EL3MBTL1HTR1APARP1
SCHEMBL7960931 0.86 SIGMAR1 (0.56) HPGDSIGMAR1CHRM2HTR1AADRA2A
SCHEMBL7959347 0.84 LMNA (0.45) HPGDSIGMAR1PARP1POLBLMNA
SCHEMBL7949425 0.84 LMNA (0.52) HPGDSIGMAR1PARP1POLBLMNA
SCHEMBL7949533 0.84 GAA (0.50) HPGDSIGMAR1PARP1POLB
SCHEMBL7958937 0.82 PKM (0.52) HPGDSIGMAR1KDM4EL3MBTL1CHRM2
SCHEMBL7961207 0.81 POLB (0.44) SIGMAR1KDM4EL3MBTL1CHRM2HTR1A

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