SCHEMBL7960931

SCHEMBL7960931

C1=C(c2ccc3ccccc3c2)CCN(CCCc2nnc3n2CCCCC3)C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.56
POLB P06746 1/20 0.42
PARP1 P09874 6/20 0.42
HTR1A P08908 5/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42
HPGD P15428 1/20 0.41

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 0.86 HPGD (0.53) SIGMAR1POLBPARP1HTR1ACHRM2
SCHEMBL7949039 0.85 SIGMAR1 (0.53) SIGMAR1PARP1HTR1AHPGD
SCHEMBL7959188 0.85 HPGD (0.51) SIGMAR1POLBHTR1ACHRM2ADRA2A
SCHEMBL7957285 0.85 SIGMAR1 (0.53) SIGMAR1POLBPARP1
SCHEMBL7949533 0.85 GAA (0.50) SIGMAR1POLBPARP1HPGD
SCHEMBL7959719 0.84 SIGMAR1 (0.55) SIGMAR1POLBPARP1HTR1A
SCHEMBL7949425 0.83 LMNA (0.52) SIGMAR1POLBPARP1HPGD
SCHEMBL7959347 0.83 LMNA (0.45) SIGMAR1POLBPARP1HPGD
SCHEMBL7957559 0.83 PARP1 (0.42) SIGMAR1POLBPARP1HTR1ACHRM2
SCHEMBL7961207 0.80 POLB (0.44) SIGMAR1POLBPARP1HTR1ACHRM2

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