SCHEMBL9469772

SCHEMBL9469772

C=CCC(CC1(C(=O)NC2CCC(C(=O)OCc3ccccc3)CC2)CCCC1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.42
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.39
USP2 O75604 2/20 0.37
CTSL P07711 1/20 0.37
EPHX1 P07099 1/20 0.35
FKBP1A P62942 1/20 0.34
DPP4 P27487 1/20 0.34
KCNH2 Q12809 1/20 0.34
DPP7 Q9UHL4 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
SCHEMBL9469767 1.00 MME (0.42) MMEALDH1A1GAATSHRUSP2
SCHEMBL9469802 0.88 MME (0.50) MMEALDH1A1GAATSHRCTSL
SCHEMBL9469805 0.88 MME (0.50) MMEALDH1A1GAATSHRCTSL
SCHEMBL9469865 0.87 MME (0.46) MMEALDH1A1GAATSHRCTSL
SCHEMBL9469861 0.87 MME (0.46) MMEALDH1A1GAATSHRCTSL
SCHEMBL9470083 0.86 MME (0.43) MMEALDH1A1GAATSHRCTSL
SCHEMBL9469222 0.85 MME (0.44) MMEALDH1A1GAATSHR
SCHEMBL9469220 0.85 MME (0.44) MMEALDH1A1GAATSHR
SCHEMBL5924918 0.85 MME (0.59) MMEALDH1A1GAATSHRCTSL
SCHEMBL9469422 0.82 MME (0.43) MMEALDH1A1GAATSHRCTSL

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 3 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