SCHEMBL8967263

SCHEMBL8967263

CCn1cc(CCN(C)C)c2cc(NS(=O)(=O)CC)ccc21

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.58
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
BRPF1 P55201 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1E P28566 1/20 0.40
HTR1F P30939 1/20 0.40
HTR7 P34969 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
SCHEMBL9687324 0.79 HTR1A (0.57) HTR6HTR2AHTR2CHTR1ADRD2
Hydrochloric Acid SCHEMBL9687692 0.78 HTR1A (0.56) HTR6HTR2AHTR2CHTR1ADRD2
SCHEMBL8415267 0.76 HTR6 (0.56) HTR6HTR2AHTR2CBRPF1HTR1A
SCHEMBL10691162 0.75 HTR6 (0.57) HTR6HTR2AHTR2C
SCHEMBL24878202 0.74 HTR6 (1.00) HTR6HTR2AHTR1ADRD2HTR1D
SCHEMBL10505946 0.73 HTR6 (0.57) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL3325869 0.72 HTR6 (0.65) HTR6
SCHEMBL19650680 0.72 HTR6 (0.71) HTR6HTR2AHTR2CHTR1ADRD2
SCHEMBL14051801 0.72 HTR1A (0.61) HTR6HTR2AHTR2CHTR1AHTR1D
SCHEMBL9526689 0.69 APP (0.42) HTR6BRPF1HTR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0697869-A1 TRANSDERMAL THERAPEUTIC SYSTEMS FOR THE ADMINISTRATION OF SEROTONIN AGONISTS LTS Lohmann Therapie-Systeme GmbH & Co. KG (DE) 1996-02-28 EP disclosed
WO-1994026270-A1 TRANSDERMAL THERAPEUTIC SYSTEMS FOR THE ADMINISTRATION OF SEROTONIN AGONISTS LTS LOHMANN THERAPIE-SYSTEME GMBH & CO. KG (DE) 1994-11-24 WO disclosed