SCHEMBL9739164

SCHEMBL9739164

Cc1cc2c(cc1C)C(=O)N(CC1CCCCN(CCCCOc3cccc4ccccc34)C1)CC2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.51
TDP1 Q9NUW8 1/20 0.50
HTR2A P28223 4/20 0.48
HTR7 P34969 2/20 0.48
HTR6 P50406 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
SLC6A4 P31645 2/20 0.42
DRD4 P21917 1/20 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
SCHEMBL9739974 0.98 HRH3 (0.54) HRH3TDP1HTR2AHTR7HTR6
SCHEMBL9740331 0.95 HRH3 (0.51) HRH3TDP1HTR2AHTR7HTR6
SCHEMBL9739808 0.89 HRH3 (0.41) HRH3
SCHEMBL9740802 0.85 SIGMAR1 (0.45)
SCHEMBL9739061 0.83 ACHE (0.40) DRD2DRD4
Hydrochloric Acid SCHEMBL9739352 0.82 ADRA1B (0.39) HRH3HTR2AHTR7MEN1KMT2A
SCHEMBL9739403 0.82 HRH3 (0.40) HRH3
SCHEMBL9215558 0.80 GRM5 (0.41) HRH3
Hydrochloric Acid SCHEMBL9206461 0.79 HRH3 (0.45) HRH3TDP1
SCHEMBL9742239 0.79 ADRA1B (0.45) HRH3MEN1KMT2AHTR1ADRD4

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