SCHEMBL28196469

SCHEMBL28196469

O=C(O)C(C(=O)O)C1CCNCC1.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 3/20 0.53
CPB2 Q96IY4 3/20 0.53
GABRA5 P31644 4/20 0.46
GABRA1 P14867 3/20 0.46
GABRB2 P47870 3/20 0.46
TSHR P16473 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRE P78334 1/20 0.46
PMP22 Q01453 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 1/20 0.46

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
SCHEMBL28855245 1.00 CPN1 (0.53) CPN1CPB2GABRA5GABRA1GABRB2
SCHEMBL15910253 0.98 CPN1 (0.55) CPN1CPB2GABRA5GABRA1GABRB2
SCHEMBL2297536 0.85 CPN1 (0.48) CPN1CPB2GABRA5GABRA1GABRB2
SCHEMBL1645240 0.79 CPN1 (0.33) CPN1CPB2TSHREPHX1LMNA
SCHEMBL5616701 0.79 CPN1 (0.33) CPN1CPB2TSHREPHX1LMNA
SCHEMBL4172534 0.77 CPN1 (0.42) CPN1CPB2GABRA5GABRA1GABRB2
SCHEMBL7289866 0.76 CPN1 (0.53) CPN1CPB2GABRA5GABRA1GABRB2
SCHEMBL19815814 0.76 CPN1 (0.53) CPN1CPB2GABRA5GABRA1GABRB2
SCHEMBL4593353 0.76 CPN1 (0.44) CPN1CPB2GABRA5GABRA1GABRB2
SCHEMBL4458323 0.76 CPN1 (0.41) CPN1CPB2GABRA5GABRA1GABRB2

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
CN-104995201-B Platinum (II) compound for treating tumor cell proliferative diseases 北京市丰硕维康技术开发有限责任公司 2017-12-22 CN disclosed