SCHEMBL29679118

SCHEMBL29679118

NCC1CCC(C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)CC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 12/20 0.64
▸ PRSS1 P07477 8/20 0.58
▸ PRSS2 P07478 8/20 0.58
▸ PRSS3 P35030 8/20 0.58
▸ PLG P00747 7/20 0.58
▸ PLAU P00749 1/20 0.58
▸ KLKB1 P03952 1/20 0.53

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
SCHEMBL29679197 0.93 PLG (0.68) FOLH1PRSS1PRSS2PRSS3PLG
SCHEMBL29679138 0.92 FOLH1 (0.60) FOLH1PRSS1PRSS2PRSS3PLG
SCHEMBL29679159 0.92 FOLH1 (0.62) FOLH1PRSS1PRSS2PRSS3PLG
SCHEMBL25963776 0.92 FOLH1 (0.60) FOLH1PRSS1PRSS2PRSS3PLG
SCHEMBL23553003 0.91 FOLH1 (0.76) FOLH1PRSS1PRSS2PRSS3PLG
SCHEMBL28659047 0.91 FOLH1 (0.76) FOLH1PRSS1PRSS2PRSS3PLG
SCHEMBL29679057 0.91 FOLH1 (0.76) FOLH1PRSS1PRSS2PRSS3PLG
SCHEMBL26090338 0.91 FOLH1 (0.76) FOLH1PRSS1PRSS2PRSS3PLG
SCHEMBL29679477 0.91 FOLH1 (0.76) FOLH1PRSS1PRSS2PRSS3PLG
SCHEMBL29679031 0.90 PLG (0.60) FOLH1PRSS1PRSS2PRSS3PLG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4003959-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER Bayer AS (NO) 2022-06-01 — — EP disclosed
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