SCHEMBL9470565

SCHEMBL9470565

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.46
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31

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
SCHEMBL9470572 1.00 MME (0.46) MMEMEN1ALDH1A1KMT2ATSHR
SCHEMBL7291524 0.89 MME (0.51) MMEMEN1ALDH1A1KMT2ATSHR
SCHEMBL7302140 0.89 MME (0.51) MMEMEN1ALDH1A1KMT2ATSHR
SCHEMBL9470040 0.87 MME (0.49) MMEMEN1ALDH1A1KMT2ATSHR
SCHEMBL9470044 0.87 MME (0.49) MMEMEN1ALDH1A1KMT2ATSHR
SCHEMBL9469801 0.86 MME (0.46) MMEMEN1ALDH1A1KMT2ATSHR
SCHEMBL9480715 0.86 MME (0.48) MMEMEN1ALDH1A1KMT2ATSHR
SCHEMBL9469798 0.86 MME (0.46) MMEMEN1ALDH1A1KMT2ATSHR
SCHEMBL9480729 0.86 MME (0.48) MMEMEN1ALDH1A1KMT2ATSHR
SCHEMBL9470264 0.84 MME (0.47) MMEMEN1ALDH1A1KMT2ATSHR

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