SCHEMBL9710078

SCHEMBL9710078

CCOC(=O)C(Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1)C(=O)CC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.43
TP53 P04637 1/20 0.40
MMP8 P22894 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR119 Q8TDV5 2/20 0.36
TSHR P16473 1/20 0.35
AGTR2 P50052 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL9709619 0.93 AGTR1 (0.44) AGTR1TP53MMP8MEN1KMT2A
SCHEMBL9710053 0.91 AGTR1 (0.46) AGTR1TP53AGTR2
SCHEMBL9709506 0.91 AGTR1 (0.46) AGTR1TP53MEN1KMT2AAGTR2
SCHEMBL9709708 0.90 AGTR1 (0.41) AGTR1TP53MMP8MEN1KMT2A
SCHEMBL9538443 0.80 AGTR1 (0.46) AGTR1TSHR
SCHEMBL9152304 0.79 AGTR1 (0.42) AGTR1TP53MEN1KMT2ATSHR
SCHEMBL9316411 0.79 AGTR1 (0.46) AGTR1AGTR2POLBSMN1; SMN2
SCHEMBL9154007 0.78 AGTR1 (0.44) AGTR1TSHRAGTR2
SCHEMBL9149844 0.77 AGTR1 (0.35) AGTR1TP53MEN1KMT2APOLB
SCHEMBL4638349 0.77 AGTR1 (0.47) AGTR1MEN1KMT2ATSHRPOLB

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-5157040-A Treatment of hypertension, ocular hypertension and some CNS disorders MERCK & CO., INC. (US) 1992-10-20 US disclosed
EP-0507594-A1 Substituted quinolines as angiotensin II antagonists MERCK & CO. INC. (US) 1992-10-07 EP disclosed