SCHEMBL5773122

SCHEMBL5773122

Cc1ccc(N2CCN(CCCc3[nH]nc4c3COCC4)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TLR9 Q9NR96 2/20 0.41
HTR7 P34969 5/20 0.39
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL5772376 0.89 HTR1A (0.43) TLR9HTR7HTR1ASIGMAR1DRD4
SCHEMBL5775621 0.89 SIGMAR1 (0.48) HTR7KDM4EHTR1ASLC6A2SIGMAR1
SCHEMBL5771894 0.89 SIGMAR1 (0.49) HTR7POLBHTR1ASIGMAR1DRD4
SCHEMBL7964122 0.84 MAPT (0.45) MAPTNPSR1HTR7ALDH1A1POLB
SCHEMBL5775439 0.84 MAPT (0.45) MAPTNPSR1HTR7ALDH1A1POLB
SCHEMBL5775029 0.84 MAPT (0.44) MAPTNPSR1HTR7ALDH1A1POLB
SCHEMBL5776755 0.82 POLB (0.42) MAPTNPSR1TLR9HTR7TNKS
SCHEMBL5776753 0.81 MAPT (0.42) MAPTNPSR1HTR7TNKSTNKS2
Maleic Acid SCHEMBL5770880 0.77 SLC27A1 (0.41) MAPTNPSR1HTR7ALDH1A1POLB
Fumaric Acid SCHEMBL5770886 0.77 SLC27A1 (0.41) MAPTNPSR1HTR7ALDH1A1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885883-B1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF MITSUBISHI PHARMA CORP (JP) 2006-11-02 EP disclosed
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