SCHEMBL11242819

SCHEMBL11242819

OC(CNCCNc1c(Cl)cc(Cl)cc1Cl)COc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55
ADRB1 P08588 7/20 0.50
ADRB3 P13945 7/20 0.50
ADRB2 P07550 5/20 0.50
CYP1A2 P05177 1/20 0.50
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL11239325 0.90 MEN1 (0.58) MEN1KMT2AOPRM1OPRD1ADRB1
Hydrochloric Acid SCHEMBL11235600 0.89 MEN1 (0.56) MEN1KMT2AOPRM1OPRD1ADRB1
SCHEMBL30001157 0.85 MEN1 (0.64) MEN1KMT2AOPRM1OPRD1ADRB1
SCHEMBL11238350 0.85 MEN1 (0.64) MEN1KMT2AOPRM1OPRD1ADRB1
Hydrochloric Acid SCHEMBL11233894 0.84 KMT2A (0.63) MEN1KMT2AOPRM1OPRD1ADRB1
SCHEMBL30001529 0.82 ADRB1 (0.59) MEN1KMT2AOPRM1OPRD1ADRB1
SCHEMBL11231197 0.82 ADRB1 (0.59) MEN1KMT2AOPRM1OPRD1ADRB1
SCHEMBL11237765 0.82 ADRB1 (0.64) MEN1KMT2AOPRM1OPRD1ADRB1
Hydrochloric Acid SCHEMBL11226912 0.81 ADRB1 (0.61) MEN1KMT2AOPRM1OPRD1ADRB1
SCHEMBL11244044 0.80 MAPT (0.69) MEN1KMT2AOPRM1OPRD1ADRB1

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