SCHEMBL8652199

SCHEMBL8652199

CC(C)C[C@H](CC(=O)N1CC2CCC(CC2)C1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
CPA1 P15085 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
SLC1A1 P43005 1/20 0.34
ANPEP P15144 1/20 0.34
LAP3 P28838 1/20 0.34
MMP3 P08254 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
RNPEP Q9H4A4 1/20 0.32
SLC7A5 Q01650 1/20 0.32

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
SCHEMBL8611291 0.77 SLC1A3 (0.42) MMESLC1A3SLC1A2CPA1MMP3
SCHEMBL8612766 0.77 SLC1A3 (0.42) MMESLC1A3SLC1A2CPA1MMP3
SCHEMBL8652466 0.77 SLC1A3 (0.42) MMESLC1A3SLC1A2CPA1MMP3
SCHEMBL9845297 0.77 SLC1A3 (0.42) MMESLC1A3SLC1A2CPA1MMP3
SCHEMBL8654346 0.76 MMP1 (0.32) MMP3
SCHEMBL4037754 0.74 MEN1 (0.44) MMESLC1A3SLC1A2SMN1; SMN2
SCHEMBL4044696 0.74 MEN1 (0.44) MMESLC1A3SLC1A2SMN1; SMN2
SCHEMBL6300523 0.73 ALDH1A1 (0.57) SMN1; SMN2HRH3
SCHEMBL17190676 0.71 SMN1; SMN2 (0.53) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5870417 0.71 NOTUM (0.45) ANPEPMMP3HRH3RNPEP

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
EP-0621867-B1 NEW ENDOTHELIN ANTAGONISTS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO (JP) 1998-10-07 EP disclosed
US-5538950-A PEPTIDE DERIVATIVES AS HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-23 US disclosed
WO-1993010144-A1 NEW ENDOTHELIN ANTAGONISTS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-27 WO disclosed