SCHEMBL4769159

SCHEMBL4769159

CC1CNCC(O)C(NC(=O)C[C@@H](C)CCNC(=O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.33
TRPV1 Q8NER1 4/20 0.30
CNR1 P21554 2/20 0.30
CNR2 P34972 2/20 0.30

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
SCHEMBL3956518 0.83 CYP2C9 (0.33) GLA
SCHEMBL4765372 0.80 GLA (0.37) GLA
SCHEMBL6211933 0.80 GLA (0.37) GLA
SCHEMBL4769145 0.72 CAPN1 (0.39)
SCHEMBL4769153 0.72 CAPN1 (0.39)
SCHEMBL6590820 0.69 EPHX1 (0.40) GLA
SCHEMBL20069277 0.69 SMN1; SMN2 (0.36) TRPV1CNR1CNR2
Hydrochloric Acid SCHEMBL28677420 0.68 SMN1; SMN2 (0.35) TRPV1CNR1CNR2
SCHEMBL15055259 0.64 KDM4E (0.38)
SCHEMBL7421894 0.63 CPN1 (0.32)

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-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed