SCHEMBL4372871

SCHEMBL4372871

O=C(C1CC[N]1)N1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
ALDH1A1 P00352 4/20 0.45
TSHR P16473 1/20 0.45
HSD11B1 P28845 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
GRM5 P41594 1/20 0.38

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
SCHEMBL3950467 0.98 HPGD (0.52) HPGDALDH1A1TSHRHSD11B1SMN1; SMN2
SCHEMBL8860937 0.88 HPGD (0.52) HPGDALDH1A1TSHRHSD11B1SMN1; SMN2
SCHEMBL3060452 0.85 HPGD (0.48) HPGDALDH1A1TSHRHSD11B1SMN1; SMN2
SCHEMBL2200249 0.83 HPGD (0.47) HPGDALDH1A1TSHRHSD11B1SMN1; SMN2
SCHEMBL6132882 0.79 ALDH1A1 (0.42) HPGDALDH1A1TSHRHSD11B1SMN1; SMN2
SCHEMBL3920347 0.74 HPGD (0.41) HPGDALDH1A1TSHRHSD11B1SMN1; SMN2
SCHEMBL2299787 0.72 HPGD (0.72) HPGDALDH1A1TSHRHSD11B1SMN1; SMN2
SCHEMBL8860841 0.72 HPGD (0.48) HPGDALDH1A1TSHRHSD11B1SMN1; SMN2
SCHEMBL20186941 0.72 HPGD (1.00) HPGDALDH1A1TSHRHSD11B1SMN1; SMN2
SCHEMBL3504308 0.72 HPGD (1.00) HPGDALDH1A1TSHRHSD11B1SMN1; SMN2

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-2051974-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2009-04-29 EP disclosed
WO-2008020045-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2008-02-21 WO disclosed