SCHEMBL21456953

SCHEMBL21456953

O=S1(=O)N(c2ccccc2)CC(O)C12CCN(Cc1ccc(Cl)c(Cl)c1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DOCK5 Q9H7D0 8/20 1.00
SIGMAR1 Q99720 3/20 0.46
OPRL1 P41146 1/20 0.44
CXCR3 P49682 1/20 0.44
CACNA1G O43497 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FAAH O00519 1/20 0.41
DRD4 P21917 1/20 0.39

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
SCHEMBL21456951 1.00 DOCK5 (1.00) DOCK5SIGMAR1OPRL1CXCR3CACNA1G
SCHEMBL21456947 0.89 DOCK5 (1.00) DOCK5SIGMAR1CXCR3CACNA1GDRD4
SCHEMBL21456949 0.89 DOCK5 (1.00) DOCK5SIGMAR1CXCR3CACNA1GDRD4
SCHEMBL21456939 0.89 DOCK5 (0.87) DOCK5SIGMAR1OPRL1
SCHEMBL21481081 0.89 DOCK5 (0.87) DOCK5SIGMAR1OPRL1
SCHEMBL21456937 0.89 DOCK5 (0.87) DOCK5SIGMAR1OPRL1
SCHEMBL21475552 0.88 DOCK5 (1.00) DOCK5SIGMAR1
SCHEMBL21481076 0.88 DOCK5 (1.00) DOCK5SIGMAR1
SCHEMBL21481075 0.87 DOCK5 (0.76) DOCK5SIGMAR1OPRL1MEN1KMT2A
SCHEMBL21475461 0.86 DOCK5 (0.82) DOCK5SIGMAR1CXCR3MEN1KMT2A

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