SCHEMBL11240133

SCHEMBL11240133

COc1ccc(NCCCC(O)C(N)Oc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.49
GAA P10253 3/20 0.47
MAPT P10636 3/20 0.47
PPARG P37231 1/20 0.46
CASR P41180 1/20 0.41
MERTK Q12866 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HIF1A Q16665 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
GCGR P47871 1/20 0.39

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
Hydrochloric Acid SCHEMBL11230532 0.88 MAPT (0.46) CTSKMAPTPPARGALDH1A1
SCHEMBL11233874 0.86 SLC6A4 (0.39) CTSKGAAMAPTPPARGALDH1A1
SCHEMBL11237796 0.86 GAA (0.43) GAAMAPTPPARGCASRALDH1A1
SCHEMBL11230725 0.81 MAPT (0.48) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL11237839 0.80 MAPT (0.40) GAAMAPTCASRALDH1A1
Hydrochloric Acid SCHEMBL6320326 0.80 SLC6A2 (0.41) MAPTPPARGCASRALDH1A1
Hydrochloric Acid SCHEMBL11236943 0.79 MAPT (0.39) GAAMAPTCASRALDH1A1
SCHEMBL11234640 0.79 MEN1 (0.46) MAPTPPARGALDH1A1NPC1RAB9A
SCHEMBL11244735 0.78 TSHR (0.36) GAAPPARGDRD2DRD4DRD3
Hydrochloric Acid SCHEMBL11237752 0.77 TSHR (0.36) GAAPPARGDRD2DRD4DRD3

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
US-4356322-A ADRENERGIC STIMULANTS; CARDIOTONIC AGENTS VEB ARZNEIMITTELWERK DRESDEN (DD) 1982-10-26 US claimed
US-4356322-A ADRENERGIC STIMULANTS; CARDIOTONIC AGENTS VEB ARZNEIMITTELWERK DRESDEN (DD) 1982-10-26 US disclosed