SCHEMBL7014445

SCHEMBL7014445

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

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 18/20 0.56
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7010377 0.89 GNRHR (0.58) GNRHRTP53MAPTSMN1; SMN2
SCHEMBL7006442 0.85 GNRHR (0.67) GNRHRTP53MAPTSMN1; SMN2
SCHEMBL7013804 0.85 GNRHR (0.72) GNRHR
SCHEMBL7096825 0.85 GNRHR (0.51) GNRHR
SCHEMBL8164276 0.83 GNRHR (0.60) GNRHRTP53MAPTSMN1; SMN2
SCHEMBL7006887 0.80 GNRHR (0.57) GNRHRTP53MAPTSMN1; SMN2
SCHEMBL7007119 0.79 GNRHR (0.56) GNRHRTP53MAPTSMN1; SMN2
SCHEMBL7520576 0.77 GNRHR (0.58) GNRHR
SCHEMBL7254012 0.75 GNRHR (0.70) GNRHR
SCHEMBL8152242 0.75 GNRHR (0.51) GNRHRTP53MAPTSMN1; SMN2

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
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