SCHEMBL9469848

SCHEMBL9469848

COCCOCC(CC1(C(=O)N[C@H]2CC[C@@H](C(=O)O)CC2)CCCC1)C(=O)OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.72
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.40
CAPN1 P07384 5/20 0.39

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
SCHEMBL9469850 1.00 MME (0.72) MMEALDH1A1GAATSHRCAPN1
SCHEMBL9470220 0.92 MME (0.60) MMEALDH1A1GAATSHRCAPN1
SCHEMBL9470216 0.92 MME (0.60) MMEALDH1A1GAATSHRCAPN1
SCHEMBL9469843 0.90 MME (0.59) MMEALDH1A1GAATSHRCAPN1
SCHEMBL9469837 0.90 MME (0.59) MMEALDH1A1GAATSHRCAPN1
SCHEMBL5924918 0.87 MME (0.59) MMEALDH1A1GAATSHRCAPN1
SCHEMBL9469547 0.85 MME (0.77) MMEALDH1A1GAATSHRCAPN1
SCHEMBL9469545 0.85 MME (0.77) MMEALDH1A1GAATSHRCAPN1
SCHEMBL6938274 0.85 MME (0.57) MMEALDH1A1GAATSHR
SCHEMBL6938276 0.85 MME (0.57) MMEALDH1A1GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5192800-A Hypotensive agents PFIZER INC. (US) 1993-03-09 US disclosed
EP-0274234-B1 SPIRO-SUBSITUTED GLUTARAMIDE DIURETIC AGENTS Pfizer Limited (GB) 1991-09-11 EP disclosed
US-5030654-A Glutaramide diuretic agents PFIZER INC. (US) 1991-07-09 US disclosed
EP-0274234-A2 Spiro-subsituted glutaramide diuretic agents Pfizer Limited (GB) 1988-07-13 EP disclosed