SCHEMBL21724503

SCHEMBL21724503

COC(=O)c1cc2ccccc2cc1OCCN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.51
ACKR3 P25106 1/20 0.50
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
EPHX2 P34913 4/20 0.48
DRD3 P35462 9/20 0.47
DRD2 P14416 4/20 0.47
GPR4 P46093 1/20 0.46
ADRB1 P08588 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2C P18825 1/20 0.45
HTR2B P41595 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CD274 Q9NZQ7 1/20 0.44

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
SCHEMBL21712258 0.90 RXFP1 (0.51) RXFP1ACKR3EPHX2DRD3DRD2
SCHEMBL3195004 0.87 ALDH1A1 (0.50) RXFP1MEN1GAAKMT2AEPHX2
SCHEMBL21740370 0.80 DRD3 (0.44) DRD3DRD2ADRB1HTR1AADRA2C
SCHEMBL3196231 0.79 DRD3 (0.50) RXFP1EPHX2DRD3DRD2GPR4
SCHEMBL31298905 0.79 NAMPT (0.47) DRD2
SCHEMBL18135536 0.79 KCNA5 (0.64) MEN1KMT2AEPHX2DRD3DRD2
SCHEMBL31298894 0.79 SCN9A (0.49) DRD2ALDH1A1
SCHEMBL21712261 0.79 MEN1 (0.43) MEN1GAAKMT2ADRD3DRD2
SCHEMBL16676642 0.78 RXFP1 (0.61) RXFP1ACKR3MEN1GAAKMT2A
SCHEMBL1495991 0.78 KDM4E (0.46) RXFP1ACKR3MEN1KMT2AEPHX2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020036812-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF Kineta, Inc. (US) 2020-02-20 WO disclosed