SCHEMBL7006887

SCHEMBL7006887

COc1ccc(-c2sc3c(c2C)c(=O)c(C=O)cn3Cc2ccccc2F)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 16/20 0.57
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL8164276 0.86 GNRHR (0.60) GNRHRSMN1; SMN2MAPTTP53
SCHEMBL7006442 0.85 GNRHR (0.67) GNRHRSMN1; SMN2MAPTTP53NPC1
SCHEMBL7007119 0.84 GNRHR (0.56) GNRHRSMN1; SMN2MAPTTP53
SCHEMBL7010377 0.84 GNRHR (0.58) GNRHRSMN1; SMN2MAPTTP53
SCHEMBL7014445 0.80 GNRHR (0.56) GNRHRSMN1; SMN2MAPTTP53
SCHEMBL8152242 0.80 GNRHR (0.51) GNRHRSMN1; SMN2ALDH1A1MAPTTP53
SCHEMBL7005794 0.76 GNRHR (0.74) GNRHR
SCHEMBL7520576 0.75 GNRHR (0.58) GNRHR
SCHEMBL7008603 0.75 GNRHR (0.70) GNRHR
SCHEMBL7012637 0.74 GNRHR (0.62) 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 16 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 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-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
US-5817819-A GONADOTROPIN-RELEASING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-06 US 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
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