SCHEMBL21456952

SCHEMBL21456952

O=S1(=O)N(c2ccccc2)C[C@H](O)[C@]12CCN(Cc1ccc3c(c1)CCC3)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DOCK5 Q9H7D0 8/20 1.00
FAAH O00519 1/20 0.43
SIGMAR1 Q99720 5/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
MCHR2 Q969V1 2/20 0.36
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
DRD2 P14416 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2B P41595 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL21456954 1.00 DOCK5 (1.00) DOCK5FAAHSIGMAR1ALDH1A1HTT
SCHEMBL21481081 0.85 DOCK5 (0.87) DOCK5SIGMAR1CYP3A4CYP2D6TSHR
SCHEMBL21456939 0.85 DOCK5 (0.87) DOCK5SIGMAR1CYP3A4CYP2D6TSHR
SCHEMBL21456937 0.85 DOCK5 (0.87) DOCK5SIGMAR1CYP3A4CYP2D6TSHR
SCHEMBL21481075 0.85 DOCK5 (0.76) DOCK5SIGMAR1CYP3A4CYP2D6
SCHEMBL21456953 0.84 DOCK5 (1.00) DOCK5FAAHSIGMAR1
SCHEMBL21456951 0.84 DOCK5 (1.00) DOCK5FAAHSIGMAR1
SCHEMBL21456949 0.83 DOCK5 (1.00) DOCK5SIGMAR1
SCHEMBL21456947 0.83 DOCK5 (1.00) DOCK5SIGMAR1
SCHEMBL21475461 0.83 DOCK5 (0.82) DOCK5SIGMAR1

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