SCHEMBL4740463

SCHEMBL4740463

O=C(O)CC1CCCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1.[KH]

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD11B1 P28845 1/20 0.47
CHRM1 P11229 2/20 0.44
CCR1 P32246 2/20 0.43
AKR1C3 P42330 2/20 0.43
AKR1C1 Q04828 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4741083 0.99 TSHR (0.58) TSHRLMNAKMT2AHSD11B1CHRM1
Potassium Ion SCHEMBL4740462 0.97 TSHR (0.55) TSHRLMNAKMT2AHSD11B1CHRM1
SCHEMBL4739901 0.88 HSD11B1 (0.61) TSHRLMNAKMT2AHSD11B1MAPT
SCHEMBL4736700 0.85 TSHR (0.58) TSHRLMNAKMT2AHSD11B1CHRM1
SCHEMBL4738255 0.85 TSHR (0.58) TSHRLMNAKMT2AHSD11B1CHRM1
SCHEMBL4736643 0.84 TSHR (0.51) TSHRLMNAKMT2AHSD11B1CHRM1
SCHEMBL4741087 0.84 AKR1C3 (0.48) TSHRLMNAKMT2AHSD11B1AKR1C3
SCHEMBL4739786 0.83 TSHR (0.50) TSHRLMNAKMT2AHSD11B1CHRM1
SCHEMBL4785915 0.82 L3MBTL1 (0.51) TSHRLMNAKMT2AHSD11B1CHRM1
SCHEMBL4740430 0.81 TSHR (0.48) TSHRLMNAKMT2AHSD11B1POLB

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