SCHEMBL11237796

SCHEMBL11237796

NC(Oc1ccccc1)C(O)CCCNc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
SLC6A4 P31645 1/20 0.39
PPARG P37231 6/20 0.39
PPARA Q07869 6/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CASR P41180 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36

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 0.89 MAPT (0.46) SLC6A4PPARGPPARAMAPTALDH1A1
SCHEMBL11233874 0.87 SLC6A4 (0.39) GAASLC6A4PPARGPPARAMAPT
SCHEMBL11240133 0.86 CTSK (0.49) GAAPPARGMAPTALDH1A1DRD2
SCHEMBL11238357 0.84 NPC1 (0.43) GAASLC6A4MAPTALDH1A1MEN1
Hydrochloric Acid SCHEMBL11233901 0.83 NPC1 (0.43) GAASLC6A4MAPTALDH1A1MEN1
SCHEMBL11242830 0.82 TRPV4 (0.35) SLC6A4PPARGPPARAMAPTALDH1A1
SCHEMBL11230725 0.82 MAPT (0.48) GAAMAPTALDH1A1DRD2DRD4
SCHEMBL11239338 0.82 DRD3 (0.33) SLC6A4PPARGPPARAMAPTALDH1A1
SCHEMBL11231203 0.82 NPC1 (0.38) MAPTALDH1A1DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL11235609 0.81 DRD3 (0.33) SLC6A4PPARGPPARAMAPTALDH1A1

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