SCHEMBL12101412

SCHEMBL12101412

BC1C=CC(NC(=O)N2CC(OC)C[C@@H]2C(=O)Nc2ccc3c(c2)C(C)(C)CN(C)C3)=CC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.35
▸ CFD P00746 3/20 0.35
▸ KLKB1 P03952 1/20 0.31

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
SCHEMBL13104233 0.83 F10 (0.42) F10CFDKLKB1
SCHEMBL14434666 0.77 F10 (0.41) F10CFDKLKB1
SCHEMBL12371498 0.75 F10 (0.41) F10CFDKLKB1
SCHEMBL12101298 0.75 F10 (0.42) F10CFDKLKB1
SCHEMBL12101302 0.74 F10 (0.41) F10CFDKLKB1
SCHEMBL8226812 0.74 F10 (0.33) F10CFD
SCHEMBL12101415 0.74 F10 (0.52) F10CFDKLKB1
SCHEMBL12101413 0.70 F10 (0.43) F10CFDKLKB1
SCHEMBL12101293 0.69 F10 (0.53) F10CFDKLKB1
SCHEMBL13104199 0.69 F10 (0.47) F10CFD

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-2051975-B1 SUBSTITUTED PROLINAMIDES, PRODUCTION THEREOF AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INT (DE) 2012-09-12 — — EP disclosed
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