SCHEMBL9090171

SCHEMBL9090171

CCCCCCC(C(=O)OCC)n1cnc(NC(=O)c2c(F)cccc2C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 1/20 0.61
▸ AGTR2 P50052 1/20 0.61
▸ PTPN1 P18031 2/20 0.42
▸ PLK1 P53350 4/20 0.38
▸ PLK3 Q9H4B4 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
Water SCHEMBL9090942 0.90 AGTR1 (0.71) AGTR1AGTR2PTPN1PLK1PLK3
SCHEMBL9090023 0.87 AGTR1 (0.64) AGTR1AGTR2PTPN1PLK1PLK3
SCHEMBL9090103 0.87 AGTR1 (0.57) AGTR1AGTR2PLK1PLK3ALDH1A1
SCHEMBL7049608 0.85 AGTR1 (0.83) AGTR1AGTR2PTPN1PLK1PLK3
SCHEMBL9091315 0.85 AGTR1 (0.55) AGTR1AGTR2ALDH1A1L3MBTL1TP53
SCHEMBL9090892 0.83 AGTR1 (0.66) AGTR1AGTR2PTPN1PLK1PLK3
SCHEMBL9090900 0.82 AGTR1 (0.67) AGTR1AGTR2ALDH1A1GAATP53
SCHEMBL9090133 0.81 AGTR1 (0.61) AGTR1AGTR2PTPN1ALDH1A1MAPT
SCHEMBL9091478 0.81 AGTR1 (0.54) AGTR1AGTR2PTPN1PLK1ALDH1A1
SCHEMBL9089027 0.81 AGTR1 (0.56) AGTR1AGTR2ALDH1A1L3MBTL1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571925-A HORMONES INHIBITORS FOR HYPOTENSIVE AGENTS ELI LILLY AND COMPANY (US) 1996-11-05 — — US disclosed
US-5563278-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1996-10-08 — — US disclosed
EP-0438869-B1 Improvements in and relating to angiotensin II antagonists LILLY CO ELI (US) 1994-12-14 — — EP disclosed
US-5312936-A Hypotensive agents ELI LILLY AND COMPANY (US) 1994-05-17 — — US disclosed
US-5073566-A Hypotensive agents ELI LILLY AND COMPANY (US) 1991-12-17 — — US disclosed
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