SCHEMBL7895280

SCHEMBL7895280

COC(=O)CCN1CCC(=C2c3ccsc3C(=O)Cn3ccnc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.42
DRD3 P35462 4/20 0.41
DRD2 P14416 2/20 0.41
HTR2A P28223 3/20 0.40
LMNA P02545 2/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
ADRA2A P08913 2/20 0.40
CHRM1 P11229 2/20 0.40
ADRA2B P18089 2/20 0.40
CHRM3 P20309 2/20 0.40
DRD1 P21728 2/20 0.40
HTR2C P28335 2/20 0.40
HTR3A P46098 2/20 0.40
HTR6 P50406 2/20 0.40
HRH4 Q9H3N8 2/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL7893060 0.86 HRH1 (0.44) HRH1DRD3DRD2HTR2ATDP1
SCHEMBL9236878 0.83 HRH1 (0.54) HRH1DRD3DRD2HTR2ALMNA
SCHEMBL9234670 0.83 SIGMAR1 (0.41) HRH1DRD3DRD2HTR2ALMNA
SCHEMBL7144620 0.83 HRH1 (0.38) HRH1DRD3DRD2HTR2ALMNA
SCHEMBL9234626 0.82 HRH1 (0.40) HRH1DRD3DRD2HTR2ALMNA
SCHEMBL9234345 0.80 DRD2 (0.41) HRH1DRD3DRD2HTR2ALMNA
SCHEMBL9236256 0.78 DRD2 (0.51) HRH1DRD3DRD2HTR2ALMNA
SCHEMBL9238456 0.76 HRH1 (0.62) HRH1DRD3DRD2HTR2ALMNA
SCHEMBL9284502 0.72 HRH1 (0.43) HRH1DRD3DRD2HTR2ALMNA
Water SCHEMBL7159274 0.71 HRH1 (0.43) HRH1DRD3DRD2HTR2ALMNA

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-0708776-B1 ANTIALLERGIC IMIDAZOAZEPINES JANSSEN PHARMACEUTICA NV (BE) 2001-01-03 EP disclosed
EP-0708776-A1 ANTIALLERGIC IMIDAZOAZEPINES JANSSEN PHARMACEUTICA N.V. (BE) 1996-05-01 EP disclosed
WO-1995002600-A1 ANTIALLERGIC IMIDAZOAZEPINES JANSSEN PHARMACEUTICA N.V. (BE) 1995-01-26 WO disclosed