SCHEMBL7348694

SCHEMBL7348694

CC(C[CH]C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(C)CC1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.48
HSD17B10 Q99714 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
UGCG Q16739 6/20 0.44
CYP3A4 P08684 1/20 0.44
CACNA1B Q00975 1/20 0.44
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
KDM1A O60341 2/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
YAP1 P46937 1/20 0.42

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
SCHEMBL7335997 0.93 PPARG (0.50) PPARGCACNA1BMMEACECPA1
SCHEMBL7340760 0.92 CACNA1B (0.50) PPARGCACNA1BMMEACECPA1
SCHEMBL7337879 0.92 PPARG (0.45) PPARGITGB3ITGA2BCACNA1BMME
SCHEMBL7343410 0.92 FAAH (0.50) PPARGCYP3A4CACNA1B
SCHEMBL7339837 0.92 PPARG (0.47) PPARGITGB3ITGA2BCACNA1BMME
SCHEMBL7338702 0.91 PPARG (0.47) PPARGCACNA1BMMEACECPA1
SCHEMBL7341214 0.91 PPARG (0.47) PPARGMMEACECPA1ACE2
SCHEMBL7341683 0.90 PPARG (0.45) PPARGCACNA1BMMEACECPA1
SCHEMBL7343476 0.90 YAP1 (0.47) PPARGCACNA1BACEYAP1
SCHEMBL7337782 0.89 MMP1 (0.50) PPARGHSD17B10YAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US claimed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed