SCHEMBL9765820

SCHEMBL9765820

CCN(CC)C(=O)C(O)C1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.45
CPN1 P15169 2/20 0.40
CPB2 Q96IY4 2/20 0.40
OPRM1 P35372 3/20 0.36
OPRK1 P41145 2/20 0.36
SLC6A2 P23975 6/20 0.34
SLC6A4 P31645 6/20 0.34
SLC6A3 Q01959 4/20 0.34
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 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
SCHEMBL10570581 0.82 OPRD1 (0.48) OPRD1CPN1CPB2OPRM1OPRK1
SCHEMBL9765860 0.79 CPN1 (0.39) OPRD1CPN1CPB2SLC6A2SLC6A4
SCHEMBL9289846 0.74 CPN1 (0.44) OPRD1CPN1CPB2SLC6A2SLC6A4
SCHEMBL7839828 0.72 OPRD1 (0.38) OPRD1CPN1CPB2OPRM1OPRK1
SCHEMBL7289866 0.70 CPN1 (0.53) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL19815814 0.70 CPN1 (0.53) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL6914069 0.69 CPN1 (0.40) OPRD1CPN1CPB2SLC6A2SLC6A4
SCHEMBL1304331 0.69 GABRP (0.46) OPRD1GABRPGABRDGABRA1TSHR
SCHEMBL19532417 0.69 CPN1 (0.42) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL1802274 0.69 CPN1 (0.42) CPN1CPB2SLC6A2SLC6A4SLC6A3

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