SCHEMBL11233874

SCHEMBL11233874

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 2/20 0.35
HTT P42858 2/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
CTSK P43235 2/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
LDHA P00338 1/20 0.33

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) SLC6A4ALDH1A1MAPTHTTCTSK
SCHEMBL11237796 0.87 GAA (0.43) SLC6A4ALDH1A1MAPTKMT2AMEN1
SCHEMBL11240133 0.86 CTSK (0.49) ALDH1A1MAPTNPC1RAB9AGAA
SCHEMBL11230725 0.82 MAPT (0.48) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL11237839 0.81 MAPT (0.40) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL11234640 0.80 MEN1 (0.46) SLC6A4ALDH1A1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL11236943 0.80 MAPT (0.39) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL11244735 0.76 TSHR (0.36) SLC6A4KMT2AGAAMAPK1PPARG
SCHEMBL11231203 0.76 NPC1 (0.38) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL11239338 0.76 DRD3 (0.33) SLC6A4ALDH1A1MAPTNPC1RAB9A

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