SCHEMBL9740331

SCHEMBL9740331

Cc1cc2c(cc1C)C(=O)N(CC1CCCN(CCCOc3cccc4ccccc34)C1)CC2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.51
TDP1 Q9NUW8 1/20 0.45
DRD4 P21917 1/20 0.44
HTR2A P28223 3/20 0.43
HTR7 P34969 2/20 0.43
HTR6 P50406 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 2/20 0.41
HTR1A P08908 1/20 0.41
SLC6A4 P31645 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DRD3 P35462 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
SCHEMBL9739974 0.98 HRH3 (0.54) HRH3TDP1DRD4HTR2AHTR7
SCHEMBL9739164 0.95 HRH3 (0.51) HRH3TDP1DRD4HTR2AHTR7
SCHEMBL9739808 0.89 HRH3 (0.41) HRH3
Hydrochloric Acid SCHEMBL9739352 0.87 ADRA1B (0.39) HRH3DRD4HTR2AHTR7MEN1
SCHEMBL9739061 0.86 ACHE (0.40) DRD4DRD2DRD3
SCHEMBL9740802 0.84 SIGMAR1 (0.45)
SCHEMBL9739652 0.83 ADRA1B (0.45) HRH3DRD4DRD2HTR1ADRD3
SCHEMBL9206705 0.82 CHRNB2 (0.45) HRH3TDP1
Hydrochloric Acid SCHEMBL9214027 0.81 CHRNB2 (0.44) HRH3TDP1
SCHEMBL9739403 0.81 HRH3 (0.40) HRH3

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
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed