SCHEMBL21456949

SCHEMBL21456949

O=S1(=O)N(c2ccccc2)CC(O)C12CCN(Cc1ccc(Cl)cc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DOCK5 Q9H7D0 8/20 1.00
CCR3 P51677 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
CHRM2 P08172 2/20 0.41
CHRM3 P20309 2/20 0.41
CXCR3 P49682 1/20 0.41
DRD4 P21917 1/20 0.40
CACNA1G O43497 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
SCHEMBL21456947 1.00 DOCK5 (1.00) DOCK5CCR3SIGMAR1CHRM2CHRM3
SCHEMBL21481081 0.93 DOCK5 (0.87) DOCK5SIGMAR1
SCHEMBL21456939 0.93 DOCK5 (0.87) DOCK5SIGMAR1
SCHEMBL21456937 0.93 DOCK5 (0.87) DOCK5SIGMAR1
SCHEMBL21475461 0.90 DOCK5 (0.82) DOCK5SIGMAR1CXCR3
SCHEMBL21481076 0.89 DOCK5 (1.00) DOCK5SIGMAR1CHRM2CHRM3
SCHEMBL21475552 0.89 DOCK5 (1.00) DOCK5SIGMAR1CHRM2CHRM3
SCHEMBL21456953 0.89 DOCK5 (1.00) DOCK5SIGMAR1CXCR3DRD4CACNA1G
SCHEMBL21456951 0.89 DOCK5 (1.00) DOCK5SIGMAR1CXCR3DRD4CACNA1G
SCHEMBL21480987 0.89 DOCK5 (0.92) DOCK5SIGMAR1CHRM2CHRM3

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