SCHEMBL9739974

SCHEMBL9739974

Cc1cc2c(cc1C)C(=O)N(CC1CCCN(CCCCOc3cccc4ccccc34)C1)CC2

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.54
TDP1 Q9NUW8 1/20 0.48
HTR2A P28223 4/20 0.47
HTR7 P34969 2/20 0.47
HTR6 P50406 2/20 0.47
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
SCHEMBL9739164 0.98 HRH3 (0.51) HRH3TDP1HTR2AHTR7HTR6
SCHEMBL9740331 0.98 HRH3 (0.51) HRH3TDP1HTR2AHTR7HTR6
SCHEMBL9739808 0.86 HRH3 (0.41) HRH3
Hydrochloric Acid SCHEMBL9739352 0.85 ADRA1B (0.39) HRH3HTR2AHTR7MEN1KMT2A
SCHEMBL9739061 0.83 ACHE (0.40) DRD2DRD4
SCHEMBL9740802 0.83 SIGMAR1 (0.45)
SCHEMBL9739652 0.81 ADRA1B (0.45) HRH3HTR1ADRD2DRD4
SCHEMBL9207074 0.80 GRM5 (0.42) HRH3
SCHEMBL9206705 0.80 CHRNB2 (0.45) HRH3TDP1
Hydrochloric Acid SCHEMBL9213427 0.79 GRM5 (0.42) HRH3MEN1KMT2A

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