SCHEMBL8021988

SCHEMBL8021988

CC1c2ccsc2CCN1C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
DRD1 P21728 3/20 0.45
MAOA P21397 3/20 0.43
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
HHAT Q5VTY9 5/20 0.41
DRD4 P21917 2/20 0.38
DRD5 P21918 2/20 0.38
GID4 Q8IVV7 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
KEAP1 Q14145 1/20 0.35

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
SCHEMBL22044650 1.00 KMT2A (0.51) KMT2ADRD1MAOADRD2DRD3
SCHEMBL20073821 0.79 KMT2A (0.50) KMT2ADRD1DRD2DRD3HHAT
SCHEMBL20073820 0.79 KMT2A (0.50) KMT2ADRD1DRD2DRD3HHAT
SCHEMBL21236284 0.78 KMT2A (0.49) KMT2ADRD1DRD2DRD3HHAT
SCHEMBL8026946 0.77 DRD2 (0.42) KMT2ADRD1DRD2DRD3HHAT
SCHEMBL22679819 0.77 KMT2A (0.48) KMT2ADRD1DRD2DRD3HHAT
SCHEMBL8012736 0.77 HHAT (0.38) KMT2ADRD1DRD2DRD3HHAT
SCHEMBL4751918 0.74 DRD2 (0.42) KMT2ADRD1DRD2DRD3HHAT
SCHEMBL3303648 0.72 MAOA (0.42) DRD1MAOADRD2DRD3DRD4
SCHEMBL3303645 0.72 MAOA (0.42) DRD1MAOADRD2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3746444-B1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2023-09-27 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US disclosed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US disclosed