SCHEMBL4456846

SCHEMBL4456846

CCN(C(C)CCN1CCC(C)CC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 9/20 0.58
▸ DRD2 P14416 1/20 0.58
▸ HTR1D P28221 1/20 0.58
▸ DRD3 P35462 1/20 0.58
▸ CCR5 P51681 7/20 0.47
▸ SIGMAR1 Q99720 2/20 0.46
▸ ACHE P22303 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
SCHEMBL5440416 0.88 HTR7 (0.56) HTR7DRD2HTR1DDRD3CCR5
SCHEMBL21540591 0.76 SMN1; SMN2 (0.49) CCR5
SCHEMBL14520864 0.74 HTR7 (0.53) HTR7DRD2HTR1DDRD3CCR5
SCHEMBL2729765 0.74 HTR7 (0.74) HTR7DRD2HTR1DDRD3CCR5
Sb-258719 SCHEMBL2471089 0.74 HTR7 (1.00) HTR7DRD2HTR1DDRD3CCR5
Sb-258719 SCHEMBL29774472 0.74 HTR7 (1.00) HTR7DRD2HTR1DDRD3CCR5
Sb-258719 SCHEMBL2471088 0.74 HTR7 (1.00) HTR7DRD2HTR1DDRD3CCR5
Sb-258719 SCHEMBL3688509 0.73 HTR7 (0.98) HTR7DRD2HTR1DDRD3CCR5
SCHEMBL28700710 0.72 ACHE (0.49) HTR7DRD2HTR1DDRD3SIGMAR1
SCHEMBL14375268 0.71 MEN1 (0.63) HTR7SIGMAR1ACHE

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-2052251-A1 COMBINATION 5-HT7 RECEPTOR ANTAGONIST AND SEROTONIN REUPTAKE INHIBITOR THERAPY JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-29 — — EP disclosed
WO-2008013556-A1 COMBINATION 5-HT7 RECEPTOR ANTAGONIST AND SEROTONIN REUPTAKE INHIBITOR THERAPY JANSSEN PHARMACEUTICAL N.V. (BE) 2008-01-31 — — WO disclosed
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