SCHEMBL4740144

SCHEMBL4740144

O=C(CC1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1)NN1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
KMT2A Q03164 6/20 0.55
NPSR1 Q6W5P4 3/20 0.54
TSHR P16473 2/20 0.54
HTT P42858 2/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.49
MEN1 O00255 1/20 0.48
GSTO1 P78417 1/20 0.48
PKM P14618 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CNR1 P21554 1/20 0.47
ADRB2 P07550 1/20 0.47

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
SCHEMBL4741085 0.92 L3MBTL1 (0.53) L3MBTL1KMT2ANPSR1TSHRHTT
SCHEMBL4740214 0.91 POLB (0.60) L3MBTL1KMT2ANPSR1TSHRHTT
SCHEMBL4786641 0.89 L3MBTL1 (0.49) L3MBTL1KMT2ANPSR1TSHRHTT
SCHEMBL4737374 0.88 L3MBTL1 (0.55) L3MBTL1KMT2APOLBALDH1A1GSTO1
SCHEMBL4738988 0.88 SMN1; SMN2 (0.53) L3MBTL1KMT2AHTTPOLBALDH1A1
SCHEMBL4785702 0.86 MAPK1 (0.52) L3MBTL1KMT2AHTTALDH1A1MEN1
SCHEMBL4737393 0.86 L3MBTL1 (0.49) L3MBTL1KMT2AHTTALDH1A1MEN1
SCHEMBL4738285 0.85 CYP19A1 (0.55) L3MBTL1KMT2ATSHRHTTALDH1A1
SCHEMBL4785915 0.84 L3MBTL1 (0.51) L3MBTL1KMT2ATSHRALDH1A1PKM
SCHEMBL4739847 0.83 POLB (0.49) L3MBTL1KMT2ANPSR1TSHRHTT

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
WO-2008087654-A2 PIPERIDINES AS INHIBITORS OF 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 CADILA HEALTHCARE LIMITED (IN) 2008-07-24 WO claimed
WO-2008087654-A2 PIPERIDINES AS INHIBITORS OF 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 CADILA HEALTHCARE LIMITED (IN) 2008-07-24 WO disclosed