SCHEMBL11244044

SCHEMBL11244044

OC(CNCCNc1ccccc1)COc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.69
HTT P42858 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
MEN1 O00255 1/20 0.65
OPRM1 P35372 1/20 0.65
OPRD1 P41143 1/20 0.65
KMT2A Q03164 1/20 0.65
ADRB1 P08588 9/20 0.64
ADRB3 P13945 9/20 0.64
ADRB2 P07550 4/20 0.58
CYP1A2 P05177 1/20 0.58
ATM Q13315 1/20 0.55
CYP2D6 P10635 2/20 0.55
LMNA P02545 1/20 0.54

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 SCHEMBL11230526 0.98 MAPT (0.68) MAPTHTTSMN1; SMN2MEN1OPRM1
SCHEMBL11233869 0.90 ADRB1 (0.64) MAPTHTTSMN1; SMN2MEN1OPRM1
SCHEMBL11237765 0.90 ADRB1 (0.64) MAPTHTTSMN1; SMN2MEN1OPRM1
SCHEMBL11240101 0.89 ADRB3 (0.64) MAPTHTTSMN1; SMN2MEN1OPRM1
SCHEMBL11234633 0.88 MEN1 (0.55) MAPTHTTSMN1; SMN2MEN1OPRM1
SCHEMBL11237809 0.87 MEN1 (0.54) MAPTHTTSMN1; SMN2MEN1OPRM1
SCHEMBL11238941 0.87 ATM (0.56) MAPTHTTSMN1; SMN2MEN1OPRM1
Hydrochloric Acid SCHEMBL11236936 0.86 ADRB1 (0.56) MAPTHTTSMN1; SMN2MEN1OPRM1
Hydrochloric Acid SCHEMBL11235226 0.86 ADRB1 (0.56) MAPTHTTSMN1; SMN2MEN1OPRM1
SCHEMBL11448213 0.85 MAPT (0.93) MAPTHTTSMN1; SMN2MEN1OPRM1

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 disclosed