SCHEMBL5583514

SCHEMBL5583514

CC(=O)Nc1ccccc1OCC(C)(O)CN(Cc1ccc(Br)cc1)C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.48
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
BRD4 O60885 2/20 0.39
KMT2A Q03164 1/20 0.39
CCR1 P32246 1/20 0.38
SSTR1 P30872 1/20 0.36
SSTR4 P31391 1/20 0.36
SLC6A2 P23975 7/20 0.36
SLC6A4 P31645 7/20 0.36
SLC6A3 Q01959 5/20 0.36
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7263208 0.91 ABCB11 (0.58) ABCB11LMNASMN1; SMN2BRD4KMT2A
SCHEMBL5583485 0.91 ABCB11 (0.58) ABCB11LMNASMN1; SMN2BRD4KMT2A
SCHEMBL5583417 0.87 ABCB11 (0.48) ABCB11LMNASMN1; SMN2BRD4KMT2A
SCHEMBL5583496 0.87 ABCB11 (0.46) ABCB11LMNASMN1; SMN2BRD4KMT2A
SCHEMBL5583430 0.85 ABCB11 (0.48) ABCB11LMNABRD4CCR1SSTR1
SCHEMBL4509250 0.82 ABCB11 (0.47) ABCB11LMNASMN1; SMN2BRD4KMT2A
Benzoic Acid SCHEMBL4199385 0.79 CCR1 (0.54) ABCB11BRD4CCR1SSTR1SSTR4
SCHEMBL4199387 0.79 CCR1 (0.45) ABCB11SMN1; SMN2BRD4KMT2ACCR1
SCHEMBL7268791 0.74 SLC6A2 (0.52) ABCB11LMNASMN1; SMN2KMT2ACCR1
SCHEMBL3805912 0.73 ABCB11 (0.85) ABCB11LMNASMN1; SMN2BRD4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4022142-B2 2007-12-12 JP claimed
JP-2004507461-A 2004-03-11 JP claimed
EP-1299357-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2003-04-09 EP claimed
WO-2001098273-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-12-27 WO claimed
EP-1299357-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2003-04-09 EP disclosed
WO-2001098273-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-12-27 WO disclosed