SCHEMBL9400451

SCHEMBL9400451

CN(C)CCc1ccc2cc(CS(=O)(=O)N3CCOCC3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
HTR1A P08908 1/20 0.49
ADRA2B P18089 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2B P41595 1/20 0.49
KCNH2 Q12809 1/20 0.49
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
TSHR P16473 2/20 0.39
CASP1 P29466 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL9400319 0.84 HTR2A (0.54) LMNAHTR1AADRA2BHTR2AHTR2B
SCHEMBL9400339 0.83 LMNA (0.46) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL25546222 0.72 ALDH1A1 (0.55) LMNAALDH1A1KDM4EHPGDKMT2A
SCHEMBL4188852 0.69 LMNA (0.50) LMNAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL15919361 0.69 NPC1 (0.58) LMNAALDH1A1HSD17B10HPGDKMT2A
SCHEMBL9400311 0.69 CNR1 (0.43) LMNAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL3778246 0.69 LMNA (0.71) LMNAALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL4180920 0.69 LMNA (0.43) LMNAALDH1A1KDM4EHPGDTSHR
SCHEMBL22600426 0.68 LMNA (0.47) LMNAALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL4431302 0.68 LMNA (0.52) LMNAALDH1A1HPGDSMN1; SMN2TSHR

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
US-5332759-A Treating a disorder due to vasodilation of the vascular system ADIR ET COMPAGNIE (FR) 1994-07-26 US disclosed