SCHEMBL8670446

SCHEMBL8670446

CN(C(=O)C1CC(S(=O)(=O)c2ccccc2)C(c2ccccc2F)N1C(=O)CC(NC(N)=O)(C(=O)O)c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL8669486 0.86 — —
SCHEMBL8670579 0.84 CTSS (0.37) —
SCHEMBL8674681 0.81 SMN1; SMN2 (0.36) —
SCHEMBL8670456 0.80 — —
SCHEMBL8668725 0.77 MEN1 (0.34) —
SCHEMBL8672023 0.71 LMNA (0.33) —
SCHEMBL8666883 0.71 AGTR2 (0.34) —
SCHEMBL8670326 0.71 AGTR2 (0.34) —
SCHEMBL8669501 0.68 — —
SCHEMBL8671612 0.67 — —

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
US-5707991-A TREATMENT OF NERVOUS SYSTEM DISORDERS, PARKINSON'S DISEASE RHONE-POULENC RORER S.A. (FR) 1998-01-13 — — US disclosed
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