SCHEMBL4646897

SCHEMBL4646897

O=C(O)CN(C1CCCCC1)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
EPHX1 P07099 1/20 0.39
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GABRA5 P31644 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
PMP22 Q01453 1/20 0.38
GABRA6 Q16445 1/20 0.38

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
Hydrochloric Acid SCHEMBL18429036 0.89 GABRA5 (0.40) SLC6A2SLC6A4EPHX1GABRA5GABRB2
SCHEMBL5800001 0.88 NPSR1 (0.44) SLC6A2SLC6A4GAANPSR1TSHR
SCHEMBL15284107 0.84 GAA (0.39) GAANPSR1ALDH1A1
SCHEMBL75481 0.77 TDP1 (0.39) SLC6A2SLC6A4GAANPSR1TSHR
SCHEMBL13209101 0.77 GABRA5 (0.40) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL2276331 0.73 SLC6A4 (0.39) SLC6A2SLC6A4GAANPSR1
SCHEMBL2276334 0.73 SLC6A4 (0.39) SLC6A2SLC6A4GAANPSR1
SCHEMBL16795227 0.72 SLC6A4 (0.44) SLC6A2SLC6A4EPHX1GABRA5GABRB2
SCHEMBL17337970 0.71 ALDH1A1 (0.43) SLC6A2SLC6A4TSHRPMP22ALDH1A1
SCHEMBL3205284 0.71 ALDH1A1 (0.43) SLC6A2SLC6A4TSHRPMP22ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685102-A4 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD (KR) 2008-08-20 EP disclosed
EP-1685102-A1 MELANOCORTIN RECEPTOR AGONISTS LG Life Sciences Ltd. (KR) 2006-08-02 EP disclosed
WO-2005047251-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2005-05-26 WO disclosed