SCHEMBL9729307

SCHEMBL9729307

C1=NC=C2Cc3cccnc3C=C12

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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 SCHEMBL11172754 0.98 CYP11B1 (0.30) CYP11B1CYP11B2
SCHEMBL2806313 0.73 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL7095208 0.70 CYP11B1 (0.47) CYP11B1CYP11B2
SCHEMBL12094093 0.69 HSP90AA1 (0.35) CYP11B1CYP11B2
SCHEMBL7094263 0.68 CYP11B1 (0.45) CYP11B1CYP11B2
SCHEMBL30848588 0.67 KDM4E (0.33)
SCHEMBL7093370 0.67 KIF11 (0.41) CYP11B1CYP11B2
SCHEMBL7096288 0.67 CYP11B1 (0.37) CYP11B1CYP11B2
SCHEMBL27464065 0.67 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL7094267 0.67 CYP11B1 (0.37) CYP11B1CYP11B2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1016872-B BCD TRICYCLIC ERGOLINE PART-STRUCTURE ANALOGUSE LILLY CO ELI (US) 1992-06-03 CN claimed
CN-87104651-A The BCD tricyclic ergoline part-structure analoguse 1988-01-13 CN claimed
EP-0250179-A2 BCD tricyclic ergoline part-structure analogues ELI LILLY AND COMPANY (US) 1987-12-23 EP claimed
US-5134143-A Dopamine Agonists ELI LILLY AND COMPANY (US) 1992-07-28 US disclosed
US-5134143-A Dopamine Agonists ELI LILLY AND COMPANY (US) 1992-07-28 US disclosed
CN-1016872-B BCD TRICYCLIC ERGOLINE PART-STRUCTURE ANALOGUSE LILLY CO ELI (US) 1992-06-03 CN disclosed
CN-1016872-B BCD TRICYCLIC ERGOLINE PART-STRUCTURE ANALOGUSE LILLY CO ELI (US) 1992-06-03 CN disclosed
US-4977160-A DOPAMINE AGONISTS; PARKINSON*S DISEASE ELI LILLY AND COMPANY (US) 1990-12-11 US disclosed
US-4977160-A DOPAMINE AGONISTS; PARKINSON*S DISEASE ELI LILLY AND COMPANY (US) 1990-12-11 US disclosed
US-4826986-A DOPAMINE AGONISTS ELI LILLY AND COMPANY (US) 1989-05-02 US disclosed
US-4826986-A DOPAMINE AGONISTS ELI LILLY AND COMPANY (US) 1989-05-02 US disclosed
CN-87104651-A The BCD tricyclic ergoline part-structure analoguse 1988-01-13 CN disclosed
EP-0250179-A2 BCD tricyclic ergoline part-structure analogues ELI LILLY AND COMPANY (US) 1987-12-23 EP disclosed
EP-0250179-A2 BCD tricyclic ergoline part-structure analogues ELI LILLY AND COMPANY (US) 1987-12-23 EP disclosed
EP-0142920-A2 6-Oxodecahydroquinolines and process for their preparation ELI LILLY AND COMPANY (US) 1985-05-29 EP disclosed
EP-0013788-B1 OCTAHYDRO-2H-PYRROLO(3,4-G)QUINOLINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 1983-04-27 EP disclosed
US-4311844-A Octahydro-2H-pyrrolo[3,4,-g]quinolines ELI LILLY AND COMPANY (US) 1982-01-19 US disclosed
US-4282362-A TREATING PARKINSON'S DISEASE, INHIBITORS OF PRE ACTIN SECRETION, DOPAMINE ANTAGONISTS ELI LILLY AND COMPANY (US) 1981-08-04 US disclosed
US-4235909-A DOPAMINE ANTAGONISTS, IN THE TREATMENT OF PARKINSON'S DISEASE ELI LILLY AND COMPANY (US) 1980-11-25 US disclosed
EP-0013788-A1 Octahydro-2H-pyrrolo(3,4-g)quinolines, process for their preparation and pharmaceutical compositions containing them ELI LILLY AND COMPANY (US) 1980-08-06 EP disclosed