SCHEMBL9469802

SCHEMBL9469802

COCC(CC1(C(=O)N[C@H]2CC[C@@H](C(=O)OCc3ccccc3)CC2)CCCC1)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 11/20 0.50
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.40
CTSL P07711 1/20 0.38
EPHX1 P07099 1/20 0.36
FKBP1A P62942 2/20 0.35

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
SCHEMBL9469805 1.00 MME (0.50) MMEALDH1A1GAATSHRCTSL
SCHEMBL5924918 0.94 MME (0.59) MMEALDH1A1GAATSHRCTSL
SCHEMBL9469610 0.90 MME (0.60) MMEALDH1A1GAATSHREPHX1
SCHEMBL9469613 0.90 MME (0.60) MMEALDH1A1GAATSHREPHX1
SCHEMBL9469772 0.88 MME (0.42) MMEALDH1A1GAATSHRCTSL
SCHEMBL9469865 0.88 MME (0.46) MMEALDH1A1GAATSHRCTSL
SCHEMBL9469767 0.88 MME (0.42) MMEALDH1A1GAATSHRCTSL
SCHEMBL9469861 0.88 MME (0.46) MMEALDH1A1GAATSHRCTSL
SCHEMBL9469843 0.88 MME (0.59) MMEALDH1A1GAATSHRCTSL
SCHEMBL9469837 0.88 MME (0.59) 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 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