SCHEMBL21456957

SCHEMBL21456957

O=S1(=O)N(c2ccccc2)C[C@H](O)[C@]12CCN(Cc1ccccc1Cl)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DOCK5 Q9H7D0 8/20 1.00
OPRM1 P35372 2/20 0.47
OPRD1 P41143 2/20 0.47
OPRK1 P41145 1/20 0.47
OPRL1 P41146 1/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
CHRM3 P20309 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 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
SCHEMBL21456959 1.00 DOCK5 (1.00) DOCK5OPRM1OPRD1OPRK1OPRL1
SCHEMBL21456937 0.88 DOCK5 (0.87) DOCK5OPRM1OPRD1OPRK1OPRL1
SCHEMBL21456939 0.88 DOCK5 (0.87) DOCK5OPRM1OPRD1OPRK1OPRL1
SCHEMBL21481081 0.88 DOCK5 (0.87) DOCK5OPRM1OPRD1OPRK1OPRL1
SCHEMBL21475486 0.87 DOCK5 (0.77) DOCK5KDM4EALDH1A1SIGMAR1MEN1
SCHEMBL21456947 0.86 DOCK5 (1.00) DOCK5SIGMAR1CHRM3
SCHEMBL21456949 0.86 DOCK5 (1.00) DOCK5SIGMAR1CHRM3
SCHEMBL21456951 0.84 DOCK5 (1.00) DOCK5OPRL1SIGMAR1MEN1KMT2A
SCHEMBL21456953 0.84 DOCK5 (1.00) DOCK5OPRL1SIGMAR1MEN1KMT2A
SCHEMBL21475461 0.83 DOCK5 (0.82) DOCK5SIGMAR1MEN1KMT2A

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