SCHEMBL8160052

SCHEMBL8160052

Cc1c(-c2ccc([N+](=O)[O-])cc2)sc2c1c(=O)c([S+]([O-])C(C)C)cn2Cc1c(F)cccc1F

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.43

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
SCHEMBL8159193 0.90 GNRHR (0.44) GNRHR
SCHEMBL8165658 0.89 GNRHR (0.42) GNRHR
SCHEMBL8160145 0.85 GNRHR (0.60) GNRHR
SCHEMBL8165696 0.84 GNRHR (0.46) GNRHR
SCHEMBL8164246 0.80 GNRHR (0.43) GNRHR
SCHEMBL7016063 0.80 GNRHR (0.54) GNRHR
SCHEMBL7493954 0.79 GNRHR (0.59) GNRHR
SCHEMBL8160803 0.74 GNRHR (0.46) GNRHR
SCHEMBL8159544 0.74 GNRHR (0.66) GNRHR
SCHEMBL7524996 0.73 GNRHR (0.57) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0862573-A1 THIENOPYRIDINE DERIVATIVES AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 1998-09-09 EP disclosed
US-5744479-A PITUITARY HORMONE INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-28 US 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
WO-1997014697-A1 THIENOPYRIDINE DERIVATIVES AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-24 WO disclosed