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Sugi Predict / Compounds / SCHEMBL7337265

SCHEMBL7337265

SCHEMBL7337265

CC(C[CH]C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCCN1CCN(C)CC1)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 17/20 0.56
▸ ITGB3 P05106 1/20 0.52
▸ ITGA2B P08514 1/20 0.52
▸ PLG P00747 1/20 0.47
▸ PRSS1 P07477 1/20 0.47
▸ PRSS2 P07478 1/20 0.47
▸ PRSS3 P35030 1/20 0.47

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
SCHEMBL7335392 0.95 TACR2 (0.56) TACR2ITGB3ITGA2BPLGPRSS1
SCHEMBL7345870 0.90 TACR2 (0.50) TACR2ITGB3ITGA2BPLGPRSS1
SCHEMBL7337503 0.89 TACR2 (0.49) TACR2ITGB3ITGA2BPLGPRSS1
SCHEMBL7344535 0.88 TACR2 (0.60) TACR2
SCHEMBL7341957 0.87 PLG (0.50) TACR2PLGPRSS1PRSS2PRSS3
SCHEMBL7342765 0.86 PLG (0.61) PLGPRSS1PRSS2PRSS3
SCHEMBL7345597 0.85 TACR2 (0.49) TACR2PLGPRSS1PRSS2PRSS3
SCHEMBL7345736 0.85 REN (0.51) PLGPRSS1PRSS2PRSS3
SCHEMBL7341933 0.85 PPARG (0.50) TACR2PLGPRSS1PRSS2PRSS3
SCHEMBL7348694 0.85 PPARG (0.48) ITGB3ITGA2B

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