SCHEMBL9531050

SCHEMBL9531050

CCCN1Cc2cccc3[nH]c(=S)n(c23)CC1C

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.55
DRD2 P14416 6/20 0.55
DRD3 P35462 5/20 0.39
PSMB8 P28062 1/20 0.36

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
SCHEMBL9674604 0.85 HTR1A (0.55) HTR1ADRD2DRD3
SCHEMBL7908075 0.84 HTR1A (0.48) HTR1ADRD2DRD3
SCHEMBL4062423 0.81 HTR1A (0.46) HTR1ADRD2DRD3
SCHEMBL599870 0.81 HTR1A (0.46) HTR1ADRD2DRD3
SCHEMBL9674292 0.74 HTR1A (0.53) HTR1ADRD2DRD3
SCHEMBL7905525 0.72 HTR1A (0.47) HTR1ADRD2DRD3
SCHEMBL7904363 0.72 HTR1A (0.42) HTR1ADRD2PSMB8
SCHEMBL7344870 0.71 HTR1A (1.00) HTR1ADRD2DRD3
SCHEMBL9526261 0.70 HTR1A (0.54) HTR1ADRD2DRD3
SCHEMBL7908113 0.69 HTR1A (0.49) HTR1ADRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384522-B1 Antiviral tetrahydroimidazo[1,4]benzodiazepin-2-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1993-01-13 EP claimed
JP-2270876-A None JP disclosed
JP-H02270876-A ANTIVIRAL TETRAHYDROIMIDAZO(1,4)BENZODIAZEPIN-2-THIONE JANSSEN PHARMACEUT NV 1990-11-05 JP disclosed