SCHEMBL7942708

SCHEMBL7942708

CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@H]1CCCCN(C/C=C/c2ccccc2)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 20/20 1.00

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
Paratoulene Phosphate SCHEMBL29941463 0.87 SRC (1.00) SRC
SCHEMBL7952367 0.85 SRC (1.00) SRC
SCHEMBL7954622 0.85 SRC (0.87) SRC
SCHEMBL7949011 0.82 SRC (1.00) SRC
SCHEMBL7949008 0.82 SRC (1.00) SRC
SCHEMBL7949092 0.81 SRC (1.00) SRC
SCHEMBL7952668 0.79 SRC (1.00) SRC
SCHEMBL7950229 0.78 SRC (0.78) SRC
SCHEMBL7950233 0.78 SRC (0.78) SRC
SCHEMBL29941518 0.76 SRC (1.00) SRC

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
WO-2001068655-A2 CAPROLACTAM DERIVATIVES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2001-09-20 — — WO claimed
WO-2001068655-A2 CAPROLACTAM DERIVATIVES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2001-09-20 — — WO disclosed
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