SCHEMBL11240101

SCHEMBL11240101

COc1ccc(NCCNCC(O)COc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.64
ADRB1 P08588 5/20 0.64
ADRB2 P07550 4/20 0.64
MAPT P10636 4/20 0.61
KMT2A Q03164 3/20 0.61
HTT P42858 2/20 0.61
GAA P10253 2/20 0.61
MEN1 O00255 2/20 0.61
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61
MAPK1 P28482 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
KDM4E B2RXH2 1/20 0.58
CASR P41180 2/20 0.58
OPRM1 P35372 1/20 0.56
OPRD1 P41143 1/20 0.56
ATM Q13315 1/20 0.55
CYP1A2 P05177 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
SCHEMBL11244044 0.89 MAPT (0.69) ADRB3ADRB1ADRB2MAPTKMT2A
SCHEMBL20552597 0.88 MAPT (0.77) ADRB3ADRB1ADRB2MAPTKMT2A
Hydrochloric Acid SCHEMBL11230526 0.88 MAPT (0.68) ADRB3ADRB1ADRB2MAPTKMT2A
SCHEMBL11233869 0.86 ADRB1 (0.64) ADRB3ADRB1ADRB2MAPTKMT2A
SCHEMBL11237765 0.86 ADRB1 (0.64) ADRB3ADRB1ADRB2MAPTKMT2A
SCHEMBL2024020 0.82 ADRB2 (0.70) ADRB3ADRB1ADRB2
SCHEMBL2024026 0.82 ADRB2 (0.70) ADRB3ADRB1ADRB2
SCHEMBL2024023 0.82 ADRB2 (0.70) ADRB3ADRB1ADRB2
SCHEMBL11609943 0.81 ADRB1 (0.76) ADRB3ADRB1ADRB2MAPTKMT2A
SCHEMBL11230720 0.81 ADRB1 (0.67) ADRB3ADRB1ADRB2MAPTKMT2A

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