SCHEMBL8092846

SCHEMBL8092846

CCCCc1nc2c(=O)[nH]ccc2n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.59
AGTR2 P50052 5/20 0.53
AGTR1 P30556 5/20 0.51
ACHE P22303 1/20 0.48

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
SCHEMBL8089312 0.86 AGTR2 (0.55) PPARGAGTR2AGTR1
SCHEMBL8080820 0.85 AGTR2 (0.72) PPARGAGTR2AGTR1ACHE
SCHEMBL8700621 0.84 PPARG (0.59) PPARGAGTR2AGTR1ACHE
SCHEMBL8088471 0.84 AGTR2 (0.53) AGTR2AGTR1
SCHEMBL8089253 0.84 AGTR2 (0.75) PPARGAGTR2AGTR1
SCHEMBL8088541 0.81 AGTR2 (0.61) PPARGAGTR2AGTR1
SCHEMBL9402036 0.81 PPARG (0.66) PPARGAGTR2AGTR1ACHE
SCHEMBL9197325 0.81 PPARG (0.88) PPARGAGTR2AGTR1
SCHEMBL8092915 0.81 AGTR2 (0.48) PPARGAGTR2AGTR1
SCHEMBL9854239 0.80 PPARG (0.70) PPARGAGTR2AGTR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6037349-A HAVING ANTAGONISTIC PROPERTIES TOWARDS ANGIOTENSIN II CAN BE USED FOR THE TREATMENT OF HYPERTENSION, ALDOSTERONISM AND CARDIAC INSUFFICIENCY MERCK PATENT GMBH (DE) 2000-03-14 US disclosed
US-5798364-A ANGIOTENSIN II ANTAGONIST, USEFUL FOR TREATMENT OF HYPERTENSION, ALDOSTERONISM AND CARDIAC INSUFFICIENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-08-25 US disclosed