SCHEMBL21456934

SCHEMBL21456934

COc1ccc(CN2CCC3(C2)C(O)CN(c2ccccc2)S3(=O)=O)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DOCK5 Q9H7D0 8/20 1.00
DRD4 P21917 5/20 0.44
SIGMAR1 Q99720 4/20 0.44
GALR3 O60755 1/20 0.41
RAB9A P51151 1/20 0.41
S1PR5 Q9H228 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 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
SCHEMBL21456931 1.00 DOCK5 (1.00) DOCK5DRD4SIGMAR1GALR3RAB9A
SCHEMBL21475550 0.84 DOCK5 (0.74) DOCK5SIGMAR1LMNAALDH1A1KMT2A
SCHEMBL21475495 0.84 DOCK5 (0.72) DOCK5SIGMAR1LMNAMAPK1ALDH1A1
SCHEMBL21475461 0.83 DOCK5 (0.82) DOCK5SIGMAR1KMT2A
SCHEMBL21456939 0.82 DOCK5 (0.87) DOCK5SIGMAR1
SCHEMBL21481081 0.82 DOCK5 (0.87) DOCK5SIGMAR1
SCHEMBL21456937 0.82 DOCK5 (0.87) DOCK5SIGMAR1
SCHEMBL21481075 0.82 DOCK5 (0.76) DOCK5SIGMAR1KMT2A
SCHEMBL21456949 0.80 DOCK5 (1.00) DOCK5DRD4SIGMAR1
SCHEMBL21456947 0.80 DOCK5 (1.00) DOCK5DRD4SIGMAR1

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