SCHEMBL4740430

SCHEMBL4740430

CC1CCCN(NC(=O)CC2CCCN(S(=O)(=O)c3cccc(Cl)c3Cl)C2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD11B1 P28845 1/20 0.46
KMT2A Q03164 6/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.43
MEN1 O00255 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 1/20 0.41
AGTR1 P30556 1/20 0.41
PAX8 Q06710 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 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
SCHEMBL4740148 0.92 TSHR (0.50) TSHRHTTNPSR1HSD11B1KMT2A
SCHEMBL4739786 0.92 TSHR (0.50) TSHRHTTNPSR1HSD11B1KMT2A
SCHEMBL4736700 0.90 TSHR (0.58) TSHRHSD11B1KMT2ALMNAPOLB
SCHEMBL4738255 0.90 TSHR (0.58) TSHRHSD11B1KMT2ALMNAPOLB
SCHEMBL4741087 0.89 AKR1C3 (0.48) TSHRHTTHSD11B1KMT2ALMNA
SCHEMBL4736643 0.87 TSHR (0.51) TSHRHSD11B1KMT2ALMNAMAPT
SCHEMBL4785915 0.85 L3MBTL1 (0.51) TSHRHSD11B1KMT2ALMNAMAPT
SCHEMBL4738938 0.85 TSHR (0.56) TSHRHTTNPSR1KMT2ALMNA
SCHEMBL4736686 0.84 HDAC3 (0.50) TSHRHTTNPSR1HSD11B1POLB
SCHEMBL4741083 0.82 TSHR (0.58) TSHRHSD11B1KMT2ALMNAPOLB

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