SCHEMBL10698595

SCHEMBL10698595

NC(CS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
MGLL Q99685 1/20 0.43
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HTR2A P28223 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
SCHEMBL10699541 0.85 HSD11B1 (0.53) HSD11B1ALDH1A1LMNAHTR2A
SCHEMBL10698593 0.81 LMNA (0.47) HSD11B1NPC1ALDH1A1LMNAHTT
SCHEMBL9374411 0.77 ALDH1A1 (0.49) HSD11B1ALDH1A1LMNAHTT
SCHEMBL5756941 0.77 GAA (0.46) HSD11B1ALDH1A1GAALMNA
SCHEMBL7300582 0.76 LMNA (0.51) GAALMNAHTR2A
SCHEMBL6009365 0.73 HTR2A (0.46) GAALMNAHTR2A
SCHEMBL5756938 0.71 HTR2A (0.52) HTR2A
SCHEMBL5757096 0.69 ALDH1A1 (0.46) NPC1ALDH1A1MGLLMAPTHTT
SCHEMBL10699537 0.67 HSD11B1 (0.53) HSD11B1ALDH1A1LMNAHTTHTR2A
SCHEMBL7868805 0.67 KYNU (0.62) ALDH1A1GAAHTT

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
EP-0294183-A1 Use of ethylamine derivatives as antihypertensive agents AJINOMOTO CO., INC. (JP) 1988-12-07 EP disclosed