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Sugi Predict / Compounds / SCHEMBL7363766

SCHEMBL7363766

SCHEMBL7363766

CCCc1nc(C(F)(F)C(F)(F)F)c(COC(=O)c2nc(CCC)n(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c2C(=O)OCc2c(C(F)(F)C(F)(F)F)nc(CCC)n2Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 10/20 0.56
▸ AGTR2 P50052 10/20 0.56
▸ ABCC3 O15438 1/20 0.48
▸ ABCC4 O15439 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ SLCO1B3 Q9NPD5 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ SLCO1B1 Q9Y6L6 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
SCHEMBL8086975 0.88 AGTR1 (0.51) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7363748 0.86 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL1417588 0.86 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL16327904 0.86 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL317 0.85 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL62 0.85 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL9558459 0.82 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL16330299 0.82 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL843 0.82 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL6545554 0.81 AGTR1 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992000067-A2 TREATMENT OF CHRONIC RENAL FAILURE WITH IMIDAZOLE ANGIOTENSIN-II RECEPTOR ANTAGONISTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-01-09 — — WO disclosed