SCHEMBL7360504

SCHEMBL7360504

O=C(O)C1CCCN(CC/C=C(/c2ccoc2)c2ccsc2)C1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 15/20 0.61
ALDH1A1 P00352 2/20 0.61
LMNA P02545 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
TSHR P16473 1/20 0.61
NFKB1 P19838 1/20 0.61
CYP2C19 P33261 1/20 0.61
HSD17B10 Q99714 1/20 0.61
PTGS1 P23219 1/20 0.55
PDE4A P27815 1/20 0.55

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
SCHEMBL7360510 1.00 SLC6A1 (0.61) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL7365428 0.91 SLC6A1 (0.73) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL7360561 0.91 SLC6A1 (0.73) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL8820648 0.87 SLC6A1 (0.81) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL8820646 0.87 SLC6A1 (0.81) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL7363771 0.84 SLC6A1 (0.60) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL7363843 0.84 SLC6A1 (0.60) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL7363842 0.84 SLC6A1 (0.60) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL7363770 0.84 SLC6A1 (0.60) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL676998 0.77 SLC6A1 (1.00) SLC6A1ALDH1A1LMNACYP1A2CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0236342-B1 AMINO ACID DERIVATIVES NOVO NORDISK A/S (DK) 1991-09-11 EP disclosed
EP-0236342-A1 AMINO ACID DERIVATIVES. NOVO INDUSTRI AS (DK) 1987-09-16 EP disclosed
WO-1987000171-A1 AMINO ACID DERIVATIVES NOVO INDUSTRI A/S (DK) 1987-01-15 WO disclosed