SCHEMBL7007954

SCHEMBL7007954

CC(C)C(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)c(C(=O)c2ccccc2)cn3Cc2c(F)cccc2F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 1.00
MEN1 O00255 1/20 0.83
KMT2A Q03164 1/20 0.83

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
Hydrochloric Acid SCHEMBL7494036 0.99 GNRHR (0.99) GNRHRMEN1KMT2A
Hydrochloric Acid SCHEMBL7496524 0.95 GNRHR (0.91) GNRHRMEN1KMT2A
SCHEMBL7526343 0.94 GNRHR (0.90) GNRHRMEN1KMT2A
Hydrochloric Acid SCHEMBL7497722 0.94 GNRHR (0.89) GNRHRMEN1KMT2A
SCHEMBL5076714 0.94 GNRHR (0.88) GNRHRMEN1KMT2A
SCHEMBL7006144 0.94 GNRHR (1.00) GNRHRMEN1KMT2A
Hydrochloric Acid SCHEMBL7497376 0.93 GNRHR (0.99) GNRHRMEN1KMT2A
SCHEMBL7827279 0.92 GNRHR (0.85) GNRHRMEN1KMT2A
SCHEMBL7006922 0.91 GNRHR (0.85) GNRHRMEN1KMT2A
SCHEMBL7841001 0.91 GNRHR (0.84) GNRHRMEN1KMT2A

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 14 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-0781774-B1 Prolactin production inhibitory agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-07-31 EP claimed
US-6015789-A LUTEINIZING HORMONE RELEASING HORMONE AGONIST AND A LUTEINIZING HORMONE RELEASING HORMONE ANTAGONIST IN COMBINATION, TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-01-18 US claimed
US-5977132-A GALACTORRHEA, HYPERPROLACTINEMIC OVULATION, PROLACTINOMA AND BRAIN TUMORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-02 US claimed
EP-0906115-A1 COMBINED USE OF GnRH AGONIST AND ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 1999-04-07 EP claimed
WO-1997040846-A1 COMBINED USE OF GnRH AGONIST AND ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-11-06 WO claimed
EP-0781774-A2 Prolactin production inhibitory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-02 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
EP-0781774-B1 Prolactin production inhibitory agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-07-31 EP disclosed
US-6015789-A LUTEINIZING HORMONE RELEASING HORMONE AGONIST AND A LUTEINIZING HORMONE RELEASING HORMONE ANTAGONIST IN COMBINATION, TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-01-18 US disclosed
US-5977132-A GALACTORRHEA, HYPERPROLACTINEMIC OVULATION, PROLACTINOMA AND BRAIN TUMORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-02 US disclosed
EP-0906115-A1 COMBINED USE OF GnRH AGONIST AND ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 1999-04-07 EP disclosed
WO-1997040846-A1 COMBINED USE OF GnRH AGONIST AND ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-11-06 WO disclosed
EP-0781774-A2 Prolactin production inhibitory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-02 EP disclosed