SCHEMBL7345870

SCHEMBL7345870

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 9/20 0.50
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
CTSS P25774 1/20 0.47
PPARG P37231 1/20 0.45
PLG P00747 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
HRH3 Q9Y5N1 2/20 0.45
HTT P42858 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7337503 0.99 TACR2 (0.49) TACR2ITGB3ITGA2BCTSSPPARG
SCHEMBL7335392 0.95 TACR2 (0.56) TACR2ITGB3ITGA2BPLGPRSS1
SCHEMBL7344535 0.93 TACR2 (0.60) TACR2
SCHEMBL7337265 0.90 TACR2 (0.56) TACR2ITGB3ITGA2BPLGPRSS1
SCHEMBL7343369 0.89 TACR2 (0.46) TACR2PPARGPLGPRSS1PRSS2
SCHEMBL7341933 0.87 PPARG (0.50) TACR2CTSSPPARGPLGPRSS1
SCHEMBL7345736 0.87 REN (0.51) CTSSPPARGPLGPRSS1PRSS2
SCHEMBL7344329 0.86 SLC2A1 (0.47) TACR2PPARGPLGPRSS1PRSS2
SCHEMBL7345597 0.86 TACR2 (0.49) TACR2PLGPRSS1PRSS2PRSS3
SCHEMBL7341957 0.86 PLG (0.50) TACR2PPARGPLGPRSS1PRSS2

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