SCHEMBL7287541

SCHEMBL7287541

[O]CC[S+]([O-])c1ccncn1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL7358775 0.89 P2RX7 (0.32) P2RX7HSP90AA1
SCHEMBL7299288 0.88 P2RX7 (0.31) P2RX7HSP90AA1
SCHEMBL7349583 0.81 P2RX7 (0.33) P2RX7HSP90AA1
SCHEMBL7358778 0.79 P2RX7 (0.32) P2RX7HSP90AA1
SCHEMBL7299291 0.77 P2RX7 (0.31) P2RX7HSP90AA1
SCHEMBL4685181 0.76 HDAC8 (0.35)
SCHEMBL8600570 0.73 HSP90AA1 (0.32) HSP90AA1
SCHEMBL4687284 0.72 HDAC8 (0.33)
SCHEMBL11278952 0.70
SCHEMBL27405766 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed