SCHEMBL3945353

SCHEMBL3945353

Cc1cccc(S(=O)(=O)NC(C)CCN2CCC(C)CC2)c1C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 14/20 0.49
▸ DRD2 P14416 2/20 0.46
▸ HTR1D P28221 2/20 0.46
▸ DRD3 P35462 2/20 0.46
▸ HSD11B1 P28845 2/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ CCR10 P46092 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ ACHE P22303 1/20 0.39

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
SCHEMBL4456849 0.83 HTR7 (0.50) HTR7DRD2HTR1DDRD3HTR2A
SCHEMBL2729765 0.72 HTR7 (0.74) HTR7DRD2HTR1DDRD3HTR2A
SCHEMBL8643575 0.72 HTR7 (0.70) HTR7DRD2HTR1DDRD3HTR2A
SCHEMBL9225490 0.70 KDM4E (0.46) HSD11B1
SCHEMBL8557028 0.65 CARM1 (0.55) HTR7DRD2HTR1DDRD3SIGMAR1
SCHEMBL8557026 0.65 CARM1 (0.55) HTR7DRD2HTR1DDRD3SIGMAR1
SCHEMBL14375364 0.65 SIGMAR1 (0.68) SIGMAR1ACHE
SCHEMBL24998551 0.65 CCR8 (0.65) —
SCHEMBL9229962 0.63 ALDH1A1 (0.45) —
Sb-258719 SCHEMBL29774472 0.63 HTR7 (1.00) HTR7DRD2HTR1DDRD3HTR2A

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-2049090-A1 USE OF 5-HT7 RECEPTOR AGONISTS FOR THE TREATMENT OF PAIN Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-04-22 — — EP disclosed
WO-2008000495-A1 USE OF 5-HT7 RECEPTOR AGONISTS FOR THE TREATMENT OF PAIN LABORATORIOS DEL DR. ESTEVE, S.A (ES) 2008-01-03 — — WO disclosed
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