SCHEMBL7842945

SCHEMBL7842945

CCOC(=O)Cn1c(=O)c2c(CN(C)c3ccccc3)c(-c3ccccc3)sc2n(Cc2ccccc2OC)c1=O

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 19/20 0.51
KCNH2 Q12809 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
SCHEMBL7841358 0.88 GNRHR (0.46) GNRHR
SCHEMBL7852099 0.82 GNRHR (0.52) GNRHR
SCHEMBL7850711 0.81 GNRHR (0.50) GNRHR
SCHEMBL7857100 0.81 GNRHR (0.55) GNRHR
SCHEMBL7855497 0.79 GNRHR (0.45) GNRHR
SCHEMBL7851919 0.76 MAPT (0.43) GNRHR
SCHEMBL7852573 0.76 MEN1 (0.41) GNRHR
SCHEMBL7842941 0.76 CYP1A2 (0.47)
SCHEMBL7851615 0.76 MAPT (0.43) GNRHR
SCHEMBL7841825 0.74 GNRHR (0.51) GNRHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640606-B1 Thienopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-07 EP disclosed
US-6140325-A HAS ENDOTHELIN ANTAGONISTIC ACTION; FOR TREATING LIVER HYPOFUNCTION, ACUTE RENAL INSUFFICIENCY, CARDIAC INFARCTION OR LIVER INSUFFICIENCY, VASOCONSTRICTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-31 US disclosed
EP-0640606-A1 Thienopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-01 EP disclosed