SCHEMBL9533568

SCHEMBL9533568

Cc1ccc(S(=O)(=O)N[C@H]2[C@H]3CC[C@H](C3)[C@@H]2CC=CCCCc2nnn[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGDR Q13258 18/20 0.53
▸ TBXA2R P21731 7/20 0.52
▸ TBXAS1 P24557 1/20 0.52
▸ PTGIR P43119 2/20 0.51

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
SCHEMBL9533557 1.00 PTGDR (0.53) PTGDRTBXA2RTBXAS1PTGIR
SCHEMBL9534722 0.91 TBXA2R (0.55) PTGDRTBXA2RTBXAS1PTGIR
SCHEMBL9534734 0.91 TBXA2R (0.55) PTGDRTBXA2RTBXAS1PTGIR
SCHEMBL9534739 0.91 TBXA2R (0.55) PTGDRTBXA2RTBXAS1PTGIR
SCHEMBL9535718 0.91 TBXA2R (0.64) PTGDRTBXA2RTBXAS1PTGIR
SCHEMBL9535142 0.91 TBXA2R (0.64) PTGDRTBXA2RTBXAS1PTGIR
SCHEMBL9535130 0.91 TBXA2R (0.64) PTGDRTBXA2RTBXAS1PTGIR
SCHEMBL10430072 0.91 TBXA2R (0.64) PTGDRTBXA2RTBXAS1PTGIR
SCHEMBL9535728 0.91 TBXA2R (0.64) PTGDRTBXA2RTBXAS1PTGIR
SCHEMBL9534340 0.91 PTGDR (0.66) PTGDRTBXA2RTBXAS1PTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3007268-A — — None — — JP disclosed
EP-0352083-B1 Alkenyltetrazole derivatives, their preparation and use SHIONOGI & CO (JP) 1993-11-24 — — EP disclosed
JP-H037268-A ALKENYLTETRAZOLE DERIVATIVE SHIONOGI & CO LTD 1991-01-14 — — JP disclosed
US-4916231-A THROMBOXANE A2 RECPTOR ANTAGONISTS SHIONOGI & CO., LTD. (JP) 1990-04-10 — — US disclosed
EP-0352083-A2 Alkenyltetrazole derivatives, their preparation and use SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1990-01-24 — — EP disclosed
Send feedback