SCHEMBL9057615

SCHEMBL9057615

CCOC(=O)C1=C(Cc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)N(CC)NC1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.39
TSHR P16473 1/20 0.36

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
SCHEMBL9042541 0.94 AGTR1 (0.39) AGTR1
SCHEMBL9042364 0.82 AGTR1 (0.41) AGTR1
SCHEMBL9055428 0.81 AGTR1 (0.40) AGTR1
SCHEMBL9041121 0.81 AGTR1 (0.40) AGTR1
SCHEMBL9043564 0.81 AGTR1 (0.40) AGTR1
SCHEMBL9057612 0.78 AGTR1 (0.38) AGTR1TSHR
SCHEMBL9043349 0.78 AGTR1 (0.38) AGTR1TSHR
SCHEMBL9058886 0.77 AGTR1 (0.43) AGTR1
SCHEMBL9041118 0.76 AGTR1 (0.39) AGTR1
SCHEMBL9055422 0.76 AGTR1 (0.39) AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed