SCHEMBL21456945

SCHEMBL21456945

Cn1cc(CN2CC[C@@]3(C2)[C@@H](O)CN(c2ccccc2)S3(=O)=O)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOCK5 Q9H7D0 8/20 1.00
LMNA P02545 2/20 0.50
GLA P06280 1/20 0.50
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CMA1 P23946 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 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
SCHEMBL21456946 1.00 DOCK5 (1.00) DOCK5LMNAGLADRD2DRD4
SCHEMBL21481081 0.80 DOCK5 (0.87) DOCK5TSHR
SCHEMBL21456939 0.80 DOCK5 (0.87) DOCK5TSHR
SCHEMBL21456937 0.80 DOCK5 (0.87) DOCK5TSHR
SCHEMBL21456957 0.80 DOCK5 (1.00) DOCK5ALDH1A1KDM4E
SCHEMBL21475486 0.80 DOCK5 (0.77) DOCK5ALDH1A1KDM4E
SCHEMBL21456959 0.80 DOCK5 (1.00) DOCK5ALDH1A1KDM4E
SCHEMBL21456949 0.77 DOCK5 (1.00) DOCK5DRD4
SCHEMBL21456947 0.77 DOCK5 (1.00) DOCK5DRD4
SCHEMBL21475460 0.76 DOCK5 (0.69) 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 3 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
EP-3553061-A1 NEW INHIBITORS OF BONE RESORPTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-10-16 EP disclosed