SCHEMBL3391404

SCHEMBL3391404

O=C(c1[c]cc2ccccc2c1)N1CCC(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.45
NAMPT P43490 3/20 0.42
HTR2A P28223 6/20 0.39
KCNH2 Q12809 5/20 0.38
HTR2C P28335 4/20 0.38
MGLL Q99685 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
AKR1C3 P42330 3/20 0.37
AKR1C1 Q04828 1/20 0.37
DRD2 P14416 1/20 0.36
PKM P14618 1/20 0.36
PDE10A Q9Y233 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3391400 0.77 ALDH1A1 (0.39) ALDH1A1GAAAKR1C3AKR1C1LMNA
SCHEMBL14305129 0.73 SPR (0.49) SPRNAMPTHTR2AKCNH2HTR2C
SCHEMBL4155933 0.72 SPR (0.52) SPRNAMPTHTR2AKCNH2HTR2C
SCHEMBL27575531 0.72 HPGD (0.49) ALDH1A1GAAKDM4EHTTSMN1; SMN2
SCHEMBL10806766 0.72 GAA (0.56) SPRHTR2AMGLLALDH1A1GAA
SCHEMBL27917812 0.70 HTR2A (0.58) SPRHTR2AKCNH2HTR2CALDH1A1
SCHEMBL19293992 0.69 GAA (0.62) SPRHTR2AKCNH2HTR2CMGLL
SCHEMBL20233339 0.68 KAT6A (0.53) SPRNAMPTHTR2AKCNH2HTR2C
SCHEMBL8546806 0.68 AKR1C3 (0.51) SPRALDH1A1GAAAKR1C3AKR1C1
SCHEMBL17689403 0.68 HTR2A (0.55) SPRNAMPTHTR2AKCNH2HTR2C

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
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP claimed
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP disclosed