SCHEMBL24607290

SCHEMBL24607290

CCCN1CCC2(CC1)CN(C)C2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.36
DRD2 P14416 6/20 0.35
DRD3 P35462 3/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR5 Q9H228 2/20 0.33
S1PR4 O95977 1/20 0.32

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
SCHEMBL23135134 0.89 KDM4E (0.38) KDM4ETSHRDRD2DRD3OPRM1
SCHEMBL24204299 0.89 OPRM1 (0.40) KDM4ETSHRDRD2DRD3OPRM1
SCHEMBL21107120 0.88 TSHR (0.41) KDM4ETSHRDRD2DRD3OPRM1
SCHEMBL24802215 0.87 OPRM1 (0.39) KDM4ETSHRDRD2DRD3OPRM1
SCHEMBL23135137 0.87 DRD2 (0.46) DRD2DRD3OPRM1OPRL1SIGMAR1
SCHEMBL21107507 0.85 KDM4E (0.43) KDM4ETSHRDRD2DRD3SIGMAR1
SCHEMBL23559981 0.84 TSHR (0.47) KDM4ETSHRDRD2DRD3OPRM1
SCHEMBL1753483 0.84 TSHR (0.46) KDM4ETSHRDRD2DRD3OPRM1
SCHEMBL24589644 0.84 KDM4E (0.40) KDM4ETSHRDRD2DRD3SIGMAR1
SCHEMBL24073328 0.82 TSHR (0.36) KDM4ETSHRDRD2DRD3OPRM1

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-2022147465-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-07-07 WO disclosed