SCHEMBL9470542

SCHEMBL9470542

NC(=O)CCC(CC1(C(=O)N[C@H]2CC[C@@H](C(=O)OCc3ccccc3)CC2)CCCC1)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.48
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
DPP4 P27487 4/20 0.38
DPP7 Q9UHL4 4/20 0.38
KCNH2 Q12809 2/20 0.38
EPHX1 P07099 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL9470555 1.00 MME (0.48) MMETSHRALDH1A1GAADPP4
SCHEMBL9469305 0.93 MME (0.45) MMETSHRALDH1A1GAADPP4
SCHEMBL9469492 0.93 MME (0.45) MMETSHRALDH1A1GAADPP4
SCHEMBL9469957 0.89 MME (0.44) MMETSHRALDH1A1GAAEPHX1
SCHEMBL9469953 0.89 MME (0.44) MMETSHRALDH1A1GAAEPHX1
SCHEMBL9469887 0.88 MME (0.52) MMETSHRALDH1A1GAAEPHX1
SCHEMBL9469892 0.88 MME (0.52) MMETSHRALDH1A1GAAEPHX1
SCHEMBL9469567 0.87 MME (0.45) MMETSHRALDH1A1GAADPP4
SCHEMBL9469571 0.87 MME (0.45) MMETSHRALDH1A1GAADPP4
SCHEMBL9470499 0.83 HRH1 (0.39) MMEALDH1A1MEN1KMT2A

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
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