SCHEMBL6135286

SCHEMBL6135286

O=C([CH]Cn1ccc(O)cc1=O)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 17/20 0.47
L3MBTL1 Q9Y468 15/20 0.47
MBTD1 Q05BQ5 6/20 0.47
TP53BP1 Q12888 3/20 0.45
L3MBTL4 Q8NA19 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 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
SCHEMBL4853830 0.78 L3MBTL3 (0.41) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL4586291 0.78 DPP8 (0.47) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL2088390 0.68 L3MBTL3 (0.50) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL4489215 0.67 L3MBTL3 (0.88) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL23682947 0.66 L3MBTL3 (1.00) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL17152284 0.64 L3MBTL3 (0.41) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL13090259 0.64 PELI1 (0.52) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL23682730 0.64 L3MBTL3 (1.00) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL4722263 0.64 CYP3A4 (0.46) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL4860343 0.64 L3MBTL3 (0.41) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539766-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-06-15 EP claimed
WO-2003104236-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-18 WO claimed