SCHEMBL7005441

SCHEMBL7005441

COc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)c(C=O)cn3Cc2ccccc2OC)cc1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.73

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
SCHEMBL7100017 0.90 GNRHR (0.79) GNRHR
SCHEMBL7100015 0.89 GNRHR (0.75) GNRHR
SCHEMBL7005234 0.88 GNRHR (0.77) GNRHR
SCHEMBL3817014 0.88 GNRHR (0.84) GNRHR
Hydrochloric Acid SCHEMBL7012248 0.87 GNRHR (0.76) GNRHR
SCHEMBL7011733 0.87 GNRHR (0.83) GNRHR
SCHEMBL7009918 0.87 GNRHR (0.82) GNRHR
SCHEMBL7006519 0.87 GNRHR (0.82) GNRHR
Hydrochloric Acid SCHEMBL7012613 0.86 GNRHR (0.81) GNRHR
SCHEMBL7016461 0.85 GNRHR (0.75) 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 9 patents. 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
EP-0756599-B1 BICYCLIC THIOPHENE DERIVATIVES AND USE AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-11-26 EP disclosed
US-6514988-B1 A pregnancy controlling agent and a menstrual cycle controlling agent; useful as an agent of spawning promotion in fish TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-04 US disclosed
US-6187788-B1 THIENO(2,3-B)(DIHYDRO)PYRIDINE DERIVATIVES; GONADOTROPIN-RELEASING HORMONE ANTAGONISTS; ANTICARCINOGENIC AGENTS; SEXUAL AND UROGENITAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-02-13 US disclosed
US-6180792-B1 DRUGS, ANTISECRETORY AGENTS AND HORMONE INHIBITORS FOR LH-RH TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-30 US disclosed
US-6048863-A SEXUAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-04-11 US disclosed
US-5817819-A GONADOTROPIN-RELEASING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-06 US disclosed
EP-0756599-A1 BICYCLIC THIOPHENE DERIVATIVES AND USE AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 1997-02-05 EP disclosed
WO-1995028405-A1 BICYCLIC THIOPHENE DERIVATIVES AND USE AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-26 WO disclosed