SCHEMBL9299256

SCHEMBL9299256

N[C@@H](CSc1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
SCN4A P35499 4/20 0.59
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
DPP4 P27487 2/20 0.42
F2 P00734 1/20 0.42
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 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
SCHEMBL2396587 0.82 SCN4A (0.51) MAOAMAOBSCN4AALDH1A1
SCHEMBL7529147 0.79 MAOA (0.68) MAOAMAOBSCN4AALDH1A1MAPK1
SCHEMBL11383818 0.78 SCN4A (0.54) MAOAMAOBSCN4AMAPK1DPP4
SCHEMBL4523623 0.77 SCN4A (0.58) MAOAMAOBSCN4ADPP4F2
SCHEMBL16133830 0.77 SCN4A (0.58) MAOAMAOBSCN4ADPP4F2
SCHEMBL8909149 0.76 MAOA (1.00) MAOAMAOBALDH1A1MAPK1MTNR1A
SCHEMBL4099623 0.76 MAOA (1.00) MAOAMAOBALDH1A1MAPK1MTNR1A
Hydrochloric Acid SCHEMBL8320866 0.76 SCN4A (0.56) MAOAMAOBSCN4AALDH1A1DPP4
Hydrochloric Acid SCHEMBL14893289 0.76 SCN4A (0.56) MAOAMAOBSCN4AALDH1A1DPP4
Hydrochloric Acid SCHEMBL9872076 0.75 ALDH1A1 (0.48) MAOAMAOBSCN4AALDH1A1MAPK1

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-5280027-A Quinazoline containing compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US disclosed
EP-0459730-A2 Anti-tumour compounds ZENECA LIMITED (GB) 1991-12-04 EP disclosed