SCHEMBL7268388

SCHEMBL7268388

CCCCc1ncc(COC(C)=O)n1C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ AGTR2 P50052 1/20 0.34
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ GABRA4 P48169 1/20 0.33
▸ GABRE P78334 1/20 0.33
▸ GABRA6 Q16445 1/20 0.33
▸ GABRG1 Q8N1C3 1/20 0.33
▸ GABRG3 Q99928 1/20 0.33
▸ GABRQ Q9UN88 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
SCHEMBL8030734 0.80 AGTR1 (0.37) AGTR1ALDH1A1GABRPGABRDGABRA1
SCHEMBL8434213 0.72 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL7276300 0.71 MEN1 (0.34) AGTR1ALDH1A1
SCHEMBL6971070 0.69 AGTR1 (0.40) AGTR1ALDH1A1AGTR2
SCHEMBL9367623 0.66 AGTR1 (0.38) AGTR1ALDH1A1AGTR2
SCHEMBL13034148 0.64 ALDH1A1 (0.58) ALDH1A1
SCHEMBL16748702 0.63 ALDH1A1 (0.44) ALDH1A1
SCHEMBL10933689 0.62 ALDH1A1 (0.50) ALDH1A1
SCHEMBL8971003 0.62 AGTR1 (0.41) AGTR1
Hexane SCHEMBL20638505 0.59 ALDH1A1 (0.80) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641203-B1 PHARMACEUTICAL COMPOSITIONS OF AN IMIDAZOLYL-AKENOIC ACID SALT AND THEIR USE AS ANGIOTENSIN II ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-16 — — EP disclosed
EP-0955294-A2 Imidazolyl-alkenoic acid SMITHKLINE BEECHAM CORPORATION (US) 1999-11-10 — — EP disclosed
US-5418250-A Hypotensive SMITHKLINE BEECHAM CORPORATION (US) 1995-05-23 — — US disclosed
EP-0427463-B1 Substituted N-(imidazolyl)alkyl alanine derivatives SMITHKLINE BEECHAM CORP (US) 1995-03-08 — — EP disclosed
EP-0425211-B1 Substituted 5-((tetrazolyl)alkenyl)-imidazoles SMITHKLINE BEECHAM CORP (US) 1994-03-30 — — EP disclosed
US-5248689-A Hypotensive agents, congestive heart failure, renal failure or glaucoma SMITHKLINE BEECHAM CORPORATION (US) 1993-09-28 — — US disclosed
US-5185351-A Hypotensive agents; for treatment of congestive heart failure, renal failure and glaucoma SMITHKLINE BEECHAM CORPORATION (US) 1993-02-09 — — US disclosed
US-5177096-A Angiotensin II receptor antagonist SMITHKLINE BEECHAM CORPORATION (US) 1993-01-05 — — US disclosed
EP-0437103-A2 Substituted 5-(alkyl)carboxamide imidazoles SMITHKLINE BEECHAM CORPORATION (US) 1991-07-17 — — EP disclosed
EP-0427463-A1 Substituted N-(imidazolyl)alkyl alanine derivatives SMITHKLINE BEECHAM CORPORATION (US) 1991-05-15 — — EP disclosed
EP-0425211-A1 Substituted 5-((tetrazolyl)alkenyl)-imidazoles SMITHKLINE BEECHAM CORPORATION (US) 1991-05-02 — — EP disclosed
EP-0403158-A2 Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 — — EP disclosed
EP-0403159-A2 Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 — — EP disclosed
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