SCHEMBL7959526

SCHEMBL7959526

c1ccc(N2CCN(CCCc3c[nH]c4c3CCCC4)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.55
SLC6A4 P31645 1/20 0.55
SIGMAR1 Q99720 3/20 0.53
KCNH2 Q12809 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
CYP2D6 P10635 1/20 0.48
DRD2 P14416 4/20 0.47
HTR1A P08908 1/20 0.47

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
SCHEMBL7961060 0.88 HTR1A (0.54) MPOSLC6A4SIGMAR1HTR1DHTR1B
SCHEMBL7960011 0.88 SIGMAR1 (0.52) SLC6A4SIGMAR1HTR1DHTR1BDRD2
SCHEMBL7961169 0.88 MAPT (0.45) MPOSLC6A4HTR1DHTR1BDRD2
SCHEMBL5414463 0.83 MPO (0.47) MPOSIGMAR1HTR1DHTR1BDRD2
SCHEMBL5396500 0.82 MAPT (0.49) MPOSIGMAR1HTR1DHTR1BDRD2
SCHEMBL5402430 0.81 HTR1D (0.45) MPOSIGMAR1HTR1DHTR1BDRD2
SCHEMBL6613728 0.79 SIGMAR1 (0.44) MPOSLC6A4SIGMAR1HTR1DHTR1B
SCHEMBL8473506 0.79 ALB (0.56) MPOSLC6A4SIGMAR1KCNH2HTR1D
SCHEMBL6601965 0.77 SPHK1 (0.40) MPOHTR1DHTR1BDRD2HTR1A
SCHEMBL11832241 0.76 HTR1A (0.82) MPOSLC6A4HTR1DHTR1BDRD2

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