SCHEMBL7339684

SCHEMBL7339684

CC(C[CH]C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCCn1ccnc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.51
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
TACR2 P21452 6/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
HMOX1 P09601 1/20 0.44
PLG P00747 2/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
POLB P06746 1/20 0.44
REN P00797 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 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
SCHEMBL7341957 0.85 PLG (0.50) TACR2PLGPRSS1PRSS2PRSS3
SCHEMBL7335392 0.85 TACR2 (0.56) TACR2PLGPRSS1PRSS2PRSS3
SCHEMBL7337265 0.84 TACR2 (0.56) TACR2PLGPRSS1PRSS2PRSS3
SCHEMBL7342765 0.84 PLG (0.61) PLGPRSS1PRSS2PRSS3REN
SCHEMBL7341933 0.83 PPARG (0.50) CTSSCTSKTACR2PLGPRSS1
SCHEMBL7345736 0.83 REN (0.51) CTSSPLGPRSS1PRSS2PRSS3
SCHEMBL7339691 0.83 CTSS (0.56) QPCTCTSSCTSKTACR2ALDH1A1
SCHEMBL7343283 0.82 ALDH1A1 (0.50) CTSSCTSKALDH1A1PPARG
SCHEMBL7345870 0.82 TACR2 (0.50) CTSSTACR2PLGPRSS1PRSS2
SCHEMBL7337025 0.82 KLKB1 (0.52) PPARG

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