SCHEMBL5017263

SCHEMBL5017263

O=c1ccn(CCCCl)c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
DUT P33316 10/20 0.55
PDE3A Q14432 2/20 0.49
CRBN Q96SW2 1/20 0.47
NAAA Q02083 1/20 0.47
PKM P14618 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
SCHEMBL592821 0.95 L3MBTL1 (0.56) L3MBTL1DUTPDE3ANAAA
Uracil SCHEMBL7129487 0.88 CRBN (0.49) L3MBTL1DUTPDE3ACRBNNAAA
SCHEMBL4348697 0.84 L3MBTL1 (0.59) L3MBTL1DUTCRBNPKM
SCHEMBL5016827 0.81 DUT (0.55) L3MBTL1DUTPDE3ACRBNNAAA
SCHEMBL3079985 0.81 DUT (0.56) L3MBTL1DUTCRBNNAAA
SCHEMBL24263706 0.81 DUT (0.55) L3MBTL1DUTPDE3ACRBNNAAA
SCHEMBL6864606 0.81 DUT (0.57) L3MBTL1DUTCRBNPKM
SCHEMBL4957852 0.81 DUT (0.55) L3MBTL1DUTPDE3ACRBNNAAA
SCHEMBL5016828 0.81 DUT (0.55) L3MBTL1DUTPDE3ACRBNNAAA
SCHEMBL4372127 0.80 PKM (0.51) L3MBTL1DUTCRBNPKM

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-1313751-B1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2008-09-17 EP disclosed
US-6740642-B2 ACTIVE AGAINST GRAM POSITIVE PATHOGENS SUCH AS STAPHYLOCOCCUS AUREUS, STREPTOCOCCUS PNEUMONIAE, GRAM NEGATIVE STRAINS SUCH AS HAEMOPHILUS INFLUENZAE; IMPROVED STABILITY BASILEA PARMACEUTICA AG (CH) 2004-05-25 US disclosed