SCHEMBL20857050

SCHEMBL20857050

COc1ccc(CC2CCN([C@@H](Cl)C=O)CC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
GRM2 Q14416 3/20 0.36
ENPP2 Q13822 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA4 P43681 2/20 0.35
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ACACB O00763 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MLLT1 Q03111 1/20 0.34
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33

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
SCHEMBL30454093 0.78 KDM1A (0.46) TRPV6GRM2KDM1AMAOAMAOB
SCHEMBL6810757 0.77 KDM4E (0.43)
SCHEMBL2125707 0.77 OGA (0.52) PIK3CGENPP2CHRNB2CHRNB4CHRNA3
SCHEMBL22371834 0.75 GPR183 (0.44) ENPP2MLLT1
SCHEMBL6810808 0.75 GRIN2B (0.47)
SCHEMBL6806817 0.74 CCR3 (0.55) HRH3
SCHEMBL12255485 0.72 SLC6A4 (0.50) TRPV6CHRNB2CHRNA4KDM1AMAOA
SCHEMBL22387770 0.71 GPR119 (0.56) PIK3CD
SCHEMBL21608552 0.70 TRPV6 (0.37) TRPV6PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21608569 0.70 TRPV6 (0.37) TRPV6PIK3CDPIK3CAPIK3CBPIK3CG

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
EP-3688472-A1 CONJUGATED PROTEINS AND USES THEREOF The Scripps Research Institute (US) 2020-08-05 EP disclosed
WO-2019067741-A1 CONJUGATED PROTEINS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2019-04-04 WO disclosed