SCHEMBL6531038

SCHEMBL6531038

[O]C[C@@H](Oc1ccc(Br)cc1)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 3/20 0.44
USP2 O75604 1/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MGLL Q99685 1/20 0.38
MAPK1 P28482 2/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
MPI P34949 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL7134270 0.78 POLB (0.47) TSHRLMNASMN1; SMN2POLBALDH1A1
SCHEMBL6277714 0.78 POLB (0.47) TSHRLMNASMN1; SMN2POLBALDH1A1
SCHEMBL4494684 0.78 L3MBTL1 (0.48) L3MBTL1TSHRUSP2HTTLMNA
SCHEMBL25299662 0.70 TSHR (0.57) L3MBTL1TSHRUSP2KDM4ESMN1; SMN2
SCHEMBL25306793 0.70 L3MBTL1 (0.64) L3MBTL1TSHRUSP2HTTKDM4E
SCHEMBL12130555 0.68 LMNA (0.44) TSHRUSP2LMNASMN1; SMN2ALDH1A1
SCHEMBL11826133 0.67 ALDH1A1 (0.38) L3MBTL1TSHRUSP2LMNAKDM4E
SCHEMBL1927517 0.64 LTA4H (0.49) L3MBTL1TSHRKDM4EALDH1A1ALOX12
SCHEMBL1927983 0.64 LTA4H (0.49) L3MBTL1TSHRKDM4EALDH1A1ALOX12
SCHEMBL24723410 0.64 MGLL (0.49) TSHRUSP2LMNAKDM4ESMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004098525-A9 USES OF ION CHANNEL MODULATING COMPOUNDS CARDIOME PHARMA CORP (CA) 2005-01-20 WO disclosed