SCHEMBL7300912

SCHEMBL7300912

CC(C)Cc1cccc(C[C@H]2CN([C@@H](Cc3c[nH]cn3)C(=O)O)C(=O)N2)c1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 2/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
SCD O00767 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DHFR P00374 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
CACNA1G O43497 1/20 0.30
CACNA1H O95180 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL7302335 0.93 ITGB2 (0.33)
SCHEMBL7291911 0.89 ALOX15 (0.37) SCDALOX15MAPTSMN1; SMN2DHFR
SCHEMBL7302866 0.82 ALDH1A1 (0.36) SCD
SCHEMBL7303150 0.73 ALDH1A1 (0.38) SCDALOX15MAPTSMN1; SMN2
SCHEMBL7302874 0.73 ROCK2 (0.41) ALOX15MAPTSMN1; SMN2
SCHEMBL7295669 0.73 ROCK2 (0.41) ALOX15MAPTSMN1; SMN2
SCHEMBL9615855 0.68 BCL2 (0.46) ALOX15
SCHEMBL24064911 0.66 ALOX15 (0.65) ALOX15MAPTSMN1; SMN2
SCHEMBL7294550 0.65 ALDH1A1 (0.35) SCDSMN1; SMN2
SCHEMBL7298731 0.65 HSD11B1 (0.43)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164388-A Hypotensive agents, treatment of congestive heart failure ABBOTT LABORATORIES (US) 1992-11-17 US disclosed
EP-0439556-A4 HETEROCYCLIC PEPTIDE RENIN INHIBITORS 1991-10-30 EP disclosed
EP-0439556-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
WO-1990004917-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-05-17 WO disclosed
EP-0365992-A1 Heterocyclic peptide renin inhibitors ABBOTT LABORATORIES (US) 1990-05-02 EP disclosed