SCHEMBL9470549

SCHEMBL9470549

COCCC(CC1(C(=O)NC2CC(C(=O)OC)CCC2C)CCCC1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 15/20 0.49
CPB1 P15086 1/20 0.38
ALDH1A1 P00352 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 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
SCHEMBL9470546 1.00 MME (0.49) MMECPB1ALDH1A1CYP2C9CYP2C19
SCHEMBL9469892 0.84 MME (0.52) MMEALDH1A1GAATSHR
SCHEMBL9469887 0.84 MME (0.52) MMEALDH1A1GAATSHR
SCHEMBL9469473 0.79 MME (0.58) MME
SCHEMBL9469469 0.79 MME (0.58) MME
SCHEMBL5925056 0.77 MME (0.49) MMEALDH1A1
SCHEMBL9753833 0.77 MME (0.49) MMEALDH1A1
SCHEMBL5796118 0.76 MME (0.48) MMEALDH1A1
SCHEMBL9753159 0.75 MME (0.42) MMECPB1
SCHEMBL9753161 0.75 MME (0.42) MMECPB1

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