SCHEMBL7343369

SCHEMBL7343369

CC(C[CH]C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCN1CCCC1=O)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 9/20 0.46
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
PLG P00747 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
PPARG P37231 2/20 0.43
LMNA P02545 1/20 0.41
YAP1 P46937 1/20 0.41
REN P00797 1/20 0.41
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 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 0.89 TACR2 (0.50) TACR2MMP9MMP8PLGPRSS1
SCHEMBL7337503 0.88 TACR2 (0.49) TACR2PLGPRSS1PRSS2PRSS3
SCHEMBL7335392 0.86 TACR2 (0.56) TACR2PLGPRSS1PRSS2PRSS3
SCHEMBL7344535 0.85 TACR2 (0.60) TACR2
SCHEMBL7341933 0.85 PPARG (0.50) TACR2MMP9MMP8PLGPRSS1
SCHEMBL7345736 0.85 REN (0.51) MMP9MMP8PLGPRSS1PRSS2
SCHEMBL7337265 0.84 TACR2 (0.56) TACR2PLGPRSS1PRSS2PRSS3
SCHEMBL7343374 0.84 TACR2 (0.49) TACR2MMP9MMP8PLGPRSS1
SCHEMBL7344329 0.84 SLC2A1 (0.47) TACR2MMP9MMP8PLGPRSS1
SCHEMBL7340612 0.83 PPARG (0.47) MMP9MMP8PLGPRSS1PRSS2

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