SCHEMBL14502452

SCHEMBL14502452

O=S(=O)(CCCCCN1CCc2ccccc2C1)c1cccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 12/20 0.69
HTR1A P08908 3/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL8982867 0.83 HTR7 (0.98) HTR7HTR1A
SCHEMBL8980005 0.83 HTR7 (0.98) HTR7HTR1A
Hydrochloric Acid SCHEMBL5403091 0.82 HTR7 (0.96) HTR7HTR1A
Hydrochloric Acid SCHEMBL5403115 0.82 HTR7 (0.96) HTR7HTR1A
SCHEMBL8979733 0.82 HTR7 (1.00) HTR7HTR1A
SCHEMBL7382641 0.81 HTR7 (0.45) HTR7HTR1ADRD3
SCHEMBL10035549 0.81 HTR7 (0.94) HTR7HTR1A
SCHEMBL8979712 0.80 HTR7 (0.80) HTR7HTR1ADRD3
Hydrochloric Acid SCHEMBL2138966 0.80 HTR7 (0.92) HTR7HTR1A
SCHEMBL7389513 0.79 HTR7 (0.48) HTR7HTR1ADRD3

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
US-7211585-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed
US-7211585-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed