SCHEMBL11237823

SCHEMBL11237823

Nc1cccc(NCCC(N)C(O)COc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
MAOB P27338 2/20 0.38
SCN4A P35499 2/20 0.37
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 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 SCHEMBL11236940 0.99 MAPT (0.41) MAPTHTTSMN1; SMN2LMNAMEN1
SCHEMBL11234636 0.89 HTT (0.41) MAPTHTTSMN1; SMN2LMNAMEN1
Hydrochloric Acid SCHEMBL11230529 0.88 MAPT (0.50) MAPTHTTSMN1; SMN2LMNAMEN1
SCHEMBL11238954 0.88 MAPT (0.47) MAPTHTTSMN1; SMN2LMNAADRB1
Hydrochloric Acid SCHEMBL11235230 0.87 MAPT (0.46) MAPTHTTSMN1; SMN2LMNAADRB1
SCHEMBL11246090 0.84 MAPT (0.50) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL11230236 0.83 ALDH1A1 (0.50) MAPTSMN1; SMN2MEN1KMT2AADRB1
Hydrochloric Acid SCHEMBL11247363 0.82 ADRB1 (0.50) MAPTSMN1; SMN2MEN1KMT2AADRB1
SCHEMBL11233872 0.81 MAPT (0.45) MAPTHTTSMN1; SMN2LMNAMEN1
SCHEMBL11237785 0.81 SCN4A (0.46) MAPTHTTSMN1; SMN2LMNAMEN1

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 1 patent. 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