SCHEMBL7659922

SCHEMBL7659922

CCCCc1nc(-c2ccc(F)cc2)nn1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.55
AGTR2 P50052 8/20 0.55
PPARG P37231 2/20 0.50
ACHE P22303 2/20 0.47
ADORA3 P0DMS8 1/20 0.45

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
SCHEMBL7657851 0.93 AGTR1 (0.59) AGTR1AGTR2PPARGACHE
SCHEMBL7659476 0.90 AGTR1 (0.55) AGTR1AGTR2PPARGACHE
SCHEMBL7650695 0.90 AGTR1 (0.55) AGTR1AGTR2PPARGACHE
SCHEMBL7653378 0.85 AGTR1 (0.63) AGTR1AGTR2PPARGACHE
SCHEMBL7651413 0.84 AGTR1 (0.53) AGTR1AGTR2PPARGACHEADORA3
SCHEMBL7654063 0.84 AGTR1 (0.54) AGTR1AGTR2PPARGACHE
SCHEMBL7650733 0.81 AGTR1 (0.58) AGTR1AGTR2PPARGACHE
SCHEMBL7659945 0.80 AGTR1 (0.55) AGTR1AGTR2PPARGACHE
SCHEMBL13277425 0.78 PPARG (0.55) AGTR1AGTR2PPARG
SCHEMBL7661202 0.78 PPARG (0.62) AGTR1AGTR2PPARGACHE

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-6358984-B1 FOR THERAPY OF HYPERTENSION AND/OR DISEASES SUCH AS HEART AND RENAL DISEASES LEAD CHEMICAL CO., LTD. (JP) 2002-03-19 US disclosed
US-6232335-B1 A BIPHENYL TRIAZOLE COMPOUND USEFUL AS A ANGIOTENSIN II CONVERTING ENZYME INHIBITORS EFFECTIVE IN THE TREATMENT OF HYPERTENSION OR HEART FAILURE LEAD CHEMICAL CO., LTD. (JP) 2001-05-15 US disclosed