SCHEMBL7949577

SCHEMBL7949577

c1ccc(N2CCN(CCCc3[nH]cc4c3CSCC4)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.49
KCNH2 Q12809 1/20 0.47
CYP2D6 P10635 1/20 0.44
MPO P05164 1/20 0.43
SLC6A4 P31645 1/20 0.43
DRD2 P14416 5/20 0.42
HTR1A P08908 2/20 0.42
DRD3 P35462 2/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
HTR7 P34969 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 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
SCHEMBL8563591 0.80 SIGMAR1 (0.49) SIGMAR1KCNH2CYP2D6DRD2HTR1A
SCHEMBL7964141 0.70 SIGMAR1 (0.48) SIGMAR1SLC6A4DRD2HTR1ADRD3
SCHEMBL5771928 0.70 DRD2 (0.43) SIGMAR1SLC6A4DRD2HTR1ADRD3
SCHEMBL5776753 0.70 MAPT (0.42) SIGMAR1KCNH2SLC6A4DRD2DRD3
SCHEMBL5988317 0.68 KCNH2 (0.88) SIGMAR1KCNH2CYP2D6SLC6A4DRD2
SCHEMBL7718541 0.68 SIGMAR1 (1.00) SIGMAR1KCNH2CYP2D6DRD2HTR1A
SCHEMBL5776684 0.68 SIGMAR1 (0.53) SIGMAR1KCNH2CYP2D6DRD2HTR1A
SCHEMBL7959526 0.68 MPO (0.55) SIGMAR1KCNH2CYP2D6MPOSLC6A4
SCHEMBL5772832 0.68 SIGMAR1 (0.53) SIGMAR1KCNH2CYP2D6DRD2HTR1A
SCHEMBL4528457 0.67 KCNH2 (1.00) SIGMAR1KCNH2CYP2D6DRD2HTR1A

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 1 patent. 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