SCHEMBL4430809

SCHEMBL4430809

O=C(O)NCCOc1cnc(Br)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.37
RAB9A P51151 2/20 0.37
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL13390945 0.80 CA12 (0.47) HTTNPSR1TDP1MEN1KMT2A
SCHEMBL25357694 0.79 KDM4E (0.45) NPC1RAB9AMTNR1AMTNR1BLMNA
SCHEMBL16332032 0.76 NPC1 (0.45) NPC1RAB9AMTNR1AMTNR1BLMNA
SCHEMBL25304931 0.75 LTB4R (0.43) ALDH1A1
SCHEMBL16007305 0.75 NAAA (0.40) MTNR1AMTNR1BLMNACYP1A2CYP3A4
SCHEMBL16061881 0.75 HTR7 (0.51) NPC1RAB9AMTNR1AMTNR1BSMN1; SMN2
SCHEMBL21383973 0.74 NPC1 (0.45) NPC1RAB9AMTNR1AMTNR1BSMN1; SMN2
SCHEMBL23321302 0.74 KMT2A (0.49) HTTSMN1; SMN2ALDH1A1ALOX15MEN1
SCHEMBL18260830 0.73 NPC1 (0.42) NPC1RAB9AMTNR1AMTNR1BLMNA
SCHEMBL18260901 0.73 MTNR1A (0.37) NPC1RAB9AMTNR1AMTNR1BSMN1; SMN2

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-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
EP-2121600-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-11-25 EP disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 WO disclosed