SCHEMBL9089552

SCHEMBL9089552

CCCCc1nc2cc(NC(=O)N(C)C)c(C)nc2n1Cc1ccc(OC(c2ccccc2)c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGT P01019 2/20 0.40
KMT2A Q03164 1/20 0.37
AGTR1 P30556 3/20 0.37
AGTR2 P50052 3/20 0.37

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
SCHEMBL9090733 0.94 KMT2A (0.39) KMT2A
SCHEMBL9088617 0.91 AGTR1 (0.42) AGTAGTR1AGTR2
SCHEMBL9089573 0.87 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9088694 0.84 KMT2A (0.41) KMT2AAGTR1AGTR2
SCHEMBL9703945 0.84 AGT (0.54) AGTAGTR1AGTR2
SCHEMBL9088198 0.83 KMT2A (0.46) KMT2AAGTR2
SCHEMBL9090634 0.81 KMT2A (0.43) KMT2AAGTR1AGTR2
SCHEMBL9087950 0.80 AGT (0.41) AGTAGTR1AGTR2
SCHEMBL9088907 0.79 AGTR1 (0.40) AGTAGTR1AGTR2
SCHEMBL9088329 0.79 AGTR1 (0.46) AGTR1AGTR2

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-5519138-A ANGIOTENSIN ANTAGONIST DR. KARL THOMAE GMBH (DE) 1996-05-21 US disclosed
EP-0529253-A1 Phenylalkylderivatives, compounds containing them and process for their fabrication Dr. Karl Thomae GmbH (DE) 1993-03-03 EP disclosed