SCHEMBL11233869

SCHEMBL11233869

OC(CNCCNc1ccc(Br)cc1)COc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 11/20 0.64
ADRB3 P13945 11/20 0.64
ADRB2 P07550 4/20 0.64
MAPT P10636 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
HTT P42858 2/20 0.59
ALDH1A1 P00352 1/20 0.59
GAA P10253 1/20 0.59
HPGD P15428 1/20 0.59
MAPK1 P28482 1/20 0.59
OPRM1 P35372 1/20 0.58
OPRD1 P41143 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.51

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
SCHEMBL11244044 0.90 MAPT (0.69) ADRB1ADRB3ADRB2MAPTMEN1
Hydrochloric Acid SCHEMBL11230526 0.89 MAPT (0.68) ADRB1ADRB3ADRB2MAPTMEN1
SCHEMBL11237765 0.87 ADRB1 (0.64) ADRB1ADRB3ADRB2MAPTMEN1
SCHEMBL11240101 0.86 ADRB3 (0.64) ADRB1ADRB3ADRB2MAPTMEN1
SCHEMBL11230720 0.82 ADRB1 (0.67) ADRB1ADRB3ADRB2MAPTMEN1
SCHEMBL11234633 0.80 MEN1 (0.55) ADRB1ADRB3ADRB2MAPTMEN1
SCHEMBL11609943 0.79 ADRB1 (0.76) ADRB1ADRB3ADRB2MAPTMEN1
SCHEMBL11237809 0.79 MEN1 (0.54) ADRB1ADRB3ADRB2MAPTMEN1
SCHEMBL11238941 0.79 ATM (0.56) ADRB1ADRB3ADRB2MAPTMEN1
SCHEMBL2024023 0.78 ADRB2 (0.70) ADRB1ADRB3ADRB2

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