SCHEMBL4736643

SCHEMBL4736643

O=C(CC1CCCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1)NN1CC2CCCC2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
HSD11B1 P28845 3/20 0.46
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
CHRM1 P11229 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL4736785 0.92 HDAC3 (0.51) HSD11B1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL4738255 0.91 TSHR (0.58) TSHRHSD11B1LMNAKMT2ACHRM1
SCHEMBL4736700 0.91 TSHR (0.58) TSHRHSD11B1LMNAKMT2ACHRM1
SCHEMBL4736702 0.90 HSD11B1 (0.58) TSHRHSD11B1LMNAL3MBTL1HDAC3
SCHEMBL4785915 0.90 L3MBTL1 (0.51) TSHRHSD11B1LMNAKMT2ACHRM1
SCHEMBL4739786 0.89 TSHR (0.50) TSHRHSD11B1LMNAKMT2ACHRM1
SCHEMBL4741087 0.87 AKR1C3 (0.48) TSHRHSD11B1LMNAKMT2AL3MBTL1
SCHEMBL4740430 0.87 TSHR (0.48) TSHRHSD11B1LMNAKMT2AMAPT
SCHEMBL4737397 0.87 TSHR (0.48) TSHRHSD11B1LMNAKMT2ACHRM1
SCHEMBL4741083 0.85 TSHR (0.58) TSHRHSD11B1LMNAKMT2ACHRM1

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