Dopamine

Dopamine

SCHEMBL28568506

C=C(CCc1ccc(O)c(O)c1)C(N)=O.NCCc1ccc(O)c(O)c1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1

The experimentally established mechanism targets of Dopamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.64
▸ KDM4E B2RXH2 3/20 0.64
▸ MAPT P10636 3/20 0.64
▸ ADRA2A P08913 2/20 0.64
▸ DRD2 P14416 2/20 0.64
▸ DRD1 P21728 2/20 0.64
▸ DRD4 P21917 2/20 0.64
▸ DRD5 P21918 2/20 0.64
▸ SLC6A2 P23975 2/20 0.64
▸ DRD3 P35462 2/20 0.64
▸ RECQL P46063 2/20 0.64
▸ SLC6A3 Q01959 2/20 0.64
▸ TDP1 Q9NUW8 2/20 0.64
▸ ALOX15 P16050 2/20 0.64
▸ TAAR1 Q96RJ0 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ TP53 P04637 1/20 0.64
▸ ADRB2 P07550 1/20 0.64
▸ HTR1A P08908 1/20 0.64
▸ CYP2D6 P10635 1/20 0.64

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
SCHEMBL29997235 0.94 IAPP (0.56) MAPK1KDM4EMAPTADRA2ADRD2
SCHEMBL1655398 0.94 IAPP (0.56) MAPK1KDM4EMAPTADRA2ADRD2
Dopamine SCHEMBL9051903 0.87 KDM4E (0.84) MAPK1KDM4EMAPTADRA2ADRD2
Dopamine SCHEMBL819109 0.84 KDM4E (0.68) MAPK1KDM4EMAPTADRA2ADRD2
Dopamine SCHEMBL28320413 0.83 KDM4E (0.66) MAPK1KDM4EMAPTADRA2ADRD2
Dopamine SCHEMBL5441164 0.82 KDM4E (0.81) MAPK1KDM4EMAPTADRA2ADRD2
Dopamine SCHEMBL28356468 0.82 KDM4E (0.88) MAPK1KDM4EMAPTADRA2ADRD2
Dopamine SCHEMBL28657094 0.80 KDM4E (0.78) MAPK1KDM4EMAPTADRA2ADRD2
Dopamine SCHEMBL28995038 0.80 KDM4E (0.84) MAPK1KDM4EMAPTADRA2ADRD2
Dopamine SCHEMBL30355306 0.80 KDM4E (0.84) MAPK1KDM4EMAPTADRA2ADRD2

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
CN-112221476-A Mussel bionic modified polyurethane sponge multifunctional adsorbent, preparation method and application thereof 四川大学 2021-01-15 — — CN disclosed
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