SCHEMBL7344329

SCHEMBL7344329

CC(C[CH]C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCC1CCCN1C)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
PLG P00747 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA5 P30532 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
TACR2 P21452 6/20 0.43
YAP1 P46937 2/20 0.43
PPARG P37231 1/20 0.42
ACE P12821 2/20 0.42
CHRM4 P08173 1/20 0.41
PSMB1 P20618 1/20 0.41
PSMB8 P28062 1/20 0.41
PSMB9 P28065 1/20 0.41
PSMB5 P28074 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL7345870 0.86 TACR2 (0.50) PLGPRSS1PRSS2PRSS3TACR2
SCHEMBL7337503 0.86 TACR2 (0.49) PLGPRSS1PRSS2PRSS3TACR2
SCHEMBL7335392 0.85 TACR2 (0.56) PLGPRSS1PRSS2PRSS3TACR2
SCHEMBL7343369 0.84 TACR2 (0.46) PLGPRSS1PRSS2PRSS3TACR2
SCHEMBL7345597 0.83 TACR2 (0.49) PLGPRSS1PRSS2PRSS3TACR2
SCHEMBL7341933 0.83 PPARG (0.50) PLGPRSS1PRSS2PRSS3TACR2
SCHEMBL7345736 0.83 REN (0.51) PLGPRSS1PRSS2PRSS3PPARG
SCHEMBL7344333 0.83 SLC2A1 (0.50) SLC2A1PLGPRSS1PRSS2PRSS3
SCHEMBL7338801 0.83 YAP1 (0.43) CHRNB2CHRNA5CHRNA7CHRNA4YAP1
SCHEMBL7337265 0.83 TACR2 (0.56) PLGPRSS1PRSS2PRSS3TACR2

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