SCHEMBL8894820

SCHEMBL8894820

CC(=O)SC[C@H](C[C]=O)Cc1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.49
CYP3A4 P08684 4/20 0.48
TAAR1 Q96RJ0 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A3 Q01959 2/20 0.46
CYP2D6 P10635 2/20 0.46
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
ACE P12821 1/20 0.41
HPGD P15428 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
SCHEMBL8410291 0.83 HRH4 (0.51) HRH4CYP3A4TAAR1SLC6A4SLC6A2
SCHEMBL5913510 0.79 HRH4 (0.62) HRH4CYP3A4TAAR1SLC6A4SLC6A2
SCHEMBL8691873 0.79 HRH4 (0.62) HRH4CYP3A4TAAR1SLC6A4SLC6A2
SCHEMBL5913277 0.79 HRH4 (0.62) HRH4CYP3A4TAAR1SLC6A4SLC6A2
SCHEMBL8691975 0.78 HRH4 (0.61) HRH4CYP3A4TAAR1SLC6A4SLC6A2
SCHEMBL28123555 0.77 CYP3A4 (0.63) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL8697115 0.76 ACACB (0.44) HRH4CYP3A4TAAR1SLC6A4SLC6A2
SCHEMBL19369643 0.74 CYP3A4 (0.60) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL9126115 0.72 CYP3A4 (0.60) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL3081031 0.72 ACE (0.66) HRH4TAAR1SLC6A4SLC6A2SLC6A3

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-5670531-A ENKEPHALINASE OR ANGIOTENSIN CONVERTING ENZYME INHIBITORS SOCIETE CIVILE BIOPROJET (FR) 1997-09-23 US disclosed