SCHEMBL7822201

SCHEMBL7822201

CCC(C)C(N)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 5/20 0.53
FOLH1 Q04609 7/20 0.51
NAALAD2 Q9Y3Q0 2/20 0.51
RIMKLA Q8IXN7 1/20 0.51
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43

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
SCHEMBL12496189 1.00 ENPEP (0.53) ENPEPFOLH1NAALAD2RIMKLAGABRP
SCHEMBL12496193 1.00 ENPEP (0.53) ENPEPFOLH1NAALAD2RIMKLAGABRP
SCHEMBL30240003 0.92 ENPEP (0.56) ENPEPFOLH1NAALAD2RIMKLA
SCHEMBL30163021 0.92 FOLH1 (0.57) ENPEPFOLH1NAALAD2RIMKLA
SCHEMBL29886827 0.92 ENPEP (0.47) ENPEPFOLH1NAALAD2RIMKLA
SCHEMBL29679645 0.90 ENPEP (0.60) ENPEP
SCHEMBL4221746 0.89 NOD1 (0.44) ENPEPFOLH1NAALAD2RIMKLA
SCHEMBL2488715 0.89 NOD1 (0.44) ENPEPFOLH1NAALAD2RIMKLA
SCHEMBL2488717 0.89 NOD1 (0.44) ENPEPFOLH1NAALAD2RIMKLA
SCHEMBL30118956 0.88 FOLH1 (0.59) ENPEPFOLH1NAALAD2RIMKLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101235081-B Method for preparing oxytocin WUXI KAILI PHARMACEUTICAL CO LTD 2010-07-07 CN disclosed
CN-101235081-A Method for preparing oxytocin WUXI KAILI PHARMACEUTICAL CO L (CN) 2008-08-06 CN disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed