SCHEMBL9765860

SCHEMBL9765860

CN(C)C(=O)C(O)C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.39
CPB2 Q96IY4 2/20 0.39
GLI1 P08151 1/20 0.39
GABRA1 P14867 2/20 0.35
TSHR P16473 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
PMP22 Q01453 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 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
SCHEMBL9765820 0.79 OPRD1 (0.45) CPN1CPB2GABRA1TSHRGABRG2
SCHEMBL1204694 0.79 EPHX1 (0.40) PMP22EPHX1LMNA
SCHEMBL1204693 0.79 EPHX1 (0.40) PMP22EPHX1LMNA
SCHEMBL9289846 0.79 CPN1 (0.44) CPN1CPB2GABRA1TSHRGABRG2
SCHEMBL19815814 0.74 CPN1 (0.53) CPN1CPB2GABRA1TSHRGABRG2
SCHEMBL7289866 0.74 CPN1 (0.53) CPN1CPB2GABRA1TSHRGABRG2
SCHEMBL6914069 0.73 CPN1 (0.40) CPN1CPB2GABRA1TSHRGABRG2
SCHEMBL19532417 0.72 CPN1 (0.42) CPN1CPB2GLI1GABRA1TSHR
SCHEMBL1802274 0.72 CPN1 (0.42) CPN1CPB2GLI1GABRA1TSHR
SCHEMBL18307376 0.72 SLC6A3 (0.46) CPN1CPB2GABRA1TSHRGABRG2

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
EP-0452392-A1 HETEROCYCLIC CHELATING AGENTS. NYCOMED AS (NO) 1991-10-23 EP disclosed