SCHEMBL11237809

SCHEMBL11237809

Nc1cccc(NCCNCC(O)COc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
KMT2A Q03164 1/20 0.54
ADRB1 P08588 10/20 0.54
ADRB3 P13945 10/20 0.54
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ADRB2 P07550 6/20 0.49
CYP1A2 P05177 1/20 0.49
ATM Q13315 1/20 0.47
LMNA P02545 1/20 0.46

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 SCHEMBL11236936 0.99 ADRB1 (0.56) MEN1OPRM1OPRD1KMT2AADRB1
SCHEMBL11244044 0.87 MAPT (0.69) MEN1OPRM1OPRD1KMT2AADRB1
SCHEMBL11234633 0.86 MEN1 (0.55) MEN1OPRM1OPRD1KMT2AADRB1
Hydrochloric Acid SCHEMBL11230526 0.86 MAPT (0.68) MEN1OPRM1OPRD1KMT2AADRB1
SCHEMBL11238941 0.85 ATM (0.56) MEN1OPRM1OPRD1KMT2AADRB1
Hydrochloric Acid SCHEMBL11235226 0.84 ADRB1 (0.56) MEN1OPRM1OPRD1KMT2AADRB1
SCHEMBL11246086 0.81 MAPT (0.63) MEN1OPRM1OPRD1KMT2AADRB1
SCHEMBL11230234 0.81 ADRB1 (0.66) MEN1OPRM1OPRD1KMT2AADRB1
Hydrochloric Acid SCHEMBL11247359 0.80 ADRB1 (0.68) MEN1OPRM1OPRD1KMT2AADRB1
SCHEMBL6432412 0.80 ADRB1 (0.59) MEN1OPRM1OPRD1KMT2AADRB1

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