SCHEMBL7014649

SCHEMBL7014649

CCOC(=O)Oc1cn(Cc2ccccc2OC)c2sc(CNCc3ccccc3)c(-c3ccccc3)c2c1=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 11/20 0.57
TACR1 P25103 2/20 0.37
P2RX7 Q99572 1/20 0.37
OPRK1 P41145 1/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CXCR4 P61073 1/20 0.36

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
SCHEMBL7015252 0.88 GNRHR (0.72) GNRHR
SCHEMBL7006804 0.88 GNRHR (0.73) GNRHR
SCHEMBL7015672 0.83 GNRHR (0.81) GNRHR
SCHEMBL7009390 0.78 GNRHR (0.73) GNRHR
SCHEMBL7011101 0.78 GNRHR (0.72) GNRHR
SCHEMBL7012390 0.77 GNRHR (0.71) GNRHR
SCHEMBL7017601 0.77 GNRHR (0.70) GNRHR
SCHEMBL7009154 0.76 GNRHR (0.70) GNRHR
SCHEMBL7007648 0.76 GNRHR (0.93) GNRHR
SCHEMBL7014303 0.75 GNRHR (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0756599-B1 BICYCLIC THIOPHENE DERIVATIVES AND USE AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-11-26 EP claimed