SCHEMBL9765127

SCHEMBL9765127

CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)cn2Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 15/20 0.61
▸ HTR1A P08908 3/20 0.53
▸ HTR1D P28221 3/20 0.53
▸ HTR1B P28222 3/20 0.53
▸ HTR1F P30939 3/20 0.53
▸ HTR7 P34969 3/20 0.53
▸ HTR1E P28566 2/20 0.53
▸ HTR2A P28223 1/20 0.53
▸ HTR2C P28335 1/20 0.53
▸ HTR2B P41595 1/20 0.53
▸ HTR3A P46098 1/20 0.53
▸ HTR5A P47898 1/20 0.53
▸ SLC47A1 Q96FL8 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ PLA2G4A P47712 1/20 0.49
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44

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
SCHEMBL9687324 0.87 HTR1A (0.57) HTR6HTR1AHTR1DHTR1BHTR1F
Hydrochloric Acid SCHEMBL9687692 0.86 HTR1A (0.56) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL13651695 0.86 HTR1A (0.56) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL9687900 0.85 HTR1A (0.55) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL7476777 0.83 HTR6 (0.60) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL9688466 0.82 HTR1A (0.60) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL9765092 0.82 PLA2G4A (0.45) HTR6HDAC1HDAC8HDAC6PLA2G4A
Oxalic Acid SCHEMBL9687340 0.81 HTR2A (0.48) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL10109312 0.80 HTR1A (0.56) HTR6HTR1AHTR1DHTR1BHTR1F
Oxalic Acid SCHEMBL9597834 0.79 HTR6 (0.64) HTR6HTR1AHTR1DHTR1BHTR1F

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-5037845-A Analgesics; for treatment or prevention of pain due to vasodilation in the cranium GLAXO GROUP LIMITED (GB) 1991-08-06 — — US disclosed
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