SCHEMBL7517482

SCHEMBL7517482

CC1c2cc(NC(=N)C3=CC=CCC3=S)ccc2CCN1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.40
PLAU P00749 1/20 0.39
CTSS P25774 1/20 0.33
HTR1A P08908 3/20 0.32
HTR2A P28223 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32
HTR7 P34969 1/20 0.32
DRD3 P35462 1/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
DRD1 P21728 1/20 0.31
TMPRSS2 O15393 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7517537 0.85 KCNN2 (0.33) MAOACTSSHTR1AHTR2AHTR7
SCHEMBL7827664 0.81 ROCK2 (0.38) MAOADRD3
SCHEMBL7510363 0.80 CNR1 (0.41) CTSS
SCHEMBL7521473 0.79 CNR1 (0.41)
SCHEMBL7513395 0.79 MAOA (0.39) MAOAPLAUDRD3
SCHEMBL8308422 0.79 ACHE (0.36) PLAU
SCHEMBL8310121 0.77 ACHE (0.38) PLAUCTSSKMT2A
SCHEMBL7510864 0.77
SCHEMBL7824786 0.76 DRD2 (0.37) HTR1ADRD3MAPTHTTKMT2A
SCHEMBL7512685 0.76 BTK (0.38) PLAUMAPTHTTKMT2A

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
EP-0861250-B1 AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2002-02-13 EP claimed