SCHEMBL21456937

SCHEMBL21456937

O=S1(=O)N(c2ccccc2)C[C@H](O)[C@]12CCN(Cc1ccccc1)C2

nearest known ligand 0.87

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DOCK5 Q9H7D0 8/20 0.87
OPRL1 P41146 2/20 0.42
OPRM1 P35372 2/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
FUCA1 P04066 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL21481081 1.00 DOCK5 (0.87) DOCK5OPRL1OPRM1OPRD1OPRK1
SCHEMBL21456939 1.00 DOCK5 (0.87) DOCK5OPRL1OPRM1OPRD1OPRK1
SCHEMBL21456949 0.93 DOCK5 (1.00) DOCK5SIGMAR1
SCHEMBL21456947 0.93 DOCK5 (1.00) DOCK5SIGMAR1
SCHEMBL21475461 0.92 DOCK5 (0.82) DOCK5SIGMAR1
SCHEMBL21481076 0.92 DOCK5 (1.00) DOCK5L3MBTL1SIGMAR1
SCHEMBL21475552 0.92 DOCK5 (1.00) DOCK5L3MBTL1SIGMAR1
SCHEMBL21480987 0.91 DOCK5 (0.92) DOCK5SIGMAR1
SCHEMBL21456953 0.89 DOCK5 (1.00) DOCK5OPRL1SIGMAR1
SCHEMBL21475460 0.88 DOCK5 (0.69) DOCK5OPRM1SIGMAR1

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