SCHEMBL21456955

SCHEMBL21456955

O=S1(=O)N(c2ccccc2)C[C@H](O)[C@]12CCN(Cc1cnc3ccccc3c1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DOCK5 Q9H7D0 8/20 1.00
DPP4 P27487 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
FAAH O00519 9/20 0.45

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
SCHEMBL21456956 1.00 DOCK5 (1.00) DOCK5DPP4DPP8FAAH
SCHEMBL21481075 0.85 DOCK5 (0.76) DOCK5
SCHEMBL21481081 0.84 DOCK5 (0.87) DOCK5
SCHEMBL21456939 0.84 DOCK5 (0.87) DOCK5
SCHEMBL21456937 0.84 DOCK5 (0.87) DOCK5
SCHEMBL21456949 0.80 DOCK5 (1.00) DOCK5
SCHEMBL21456947 0.80 DOCK5 (1.00) DOCK5
SCHEMBL21481005 0.80 DOCK5 (0.68) DOCK5
SCHEMBL21475461 0.79 DOCK5 (0.82) DOCK5
SCHEMBL21481076 0.79 DOCK5 (1.00) DOCK5

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-2019197659-A1 NEW INHIBITORS OF BONE RESORPTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-10-17 WO disclosed
EP-3553061-A1 NEW INHIBITORS OF BONE RESORPTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-10-16 EP disclosed