SCHEMBL7293075

SCHEMBL7293075

CCOC(=O)[C@H](CCC(=O)N[C@@H](Cc1ccc(OC(=O)C(C)C)c(OC(=O)C(C)C)c1)C(=O)OCC)NC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 5/20 0.53
▸ DRD1 P21728 2/20 0.46
▸ ADRB2 P07550 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ TACR1 P25103 3/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41

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 SCHEMBL7301902 0.87 ALOX15 (0.52) ALOX15DRD1ADRB2ADRA2ADRD2
Hydrochloric Acid SCHEMBL7300561 0.85 ALOX15 (0.50) ALOX15DRD1ADRB2ADRA2ADRD2
SCHEMBL21510392 0.83 TACR1 (0.50) ALOX15DRD1ADRB2ADRA2ADRD2
Hydrochloric Acid SCHEMBL7294546 0.79 ALDH1A1 (0.44) ALOX15DRD1ALDH1A1KMT2APOLB
SCHEMBL1069133 0.76 ALOX15 (0.44) ALOX15DRD1ADRB2ADRA2ADRD2
SCHEMBL26017394 0.75 DRD1 (0.49) ALOX15DRD1ADRB2ADRA2ADRD2
SCHEMBL3282594 0.75 TACR1 (0.53) ALDH1A1TACR1POLB
SCHEMBL6224832 0.75 TACR1 (0.53) ALDH1A1TACR1POLB
SCHEMBL23417656 0.74 ALOX15 (0.49) ALOX15DRD1ALDH1A1TACR1KMT2A
SCHEMBL25471910 0.73 ALDH1A1 (0.49) ALOX15ALDH1A1TACR1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0352815-B1 PRODRUGS OF DOPAMINE ZAMBON GROUP S.p.A. (IT) 1993-05-19 — — EP disclosed
US-5013753-A Prodrugs of dopamine SIMES (IT) 1991-05-07 — — US disclosed
EP-0352815-A1 Prodrugs of dopamine ZAMBON GROUP S.p.A. (IT) 1990-01-31 — — EP disclosed
Send feedback