SCHEMBL23097488

SCHEMBL23097488

CC(N)Cc1ccc(C(=O)C(=O)C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.53
SLC6A2 P23975 5/20 0.53
SLC6A3 Q01959 3/20 0.48
SLC6A4 P31645 3/20 0.47
MAOA P21397 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 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
SCHEMBL13410540 0.85 SLC7A5 (0.57) SLC6A3
SCHEMBL16130498 0.85 SLC6A4 (0.47) TAAR1SLC6A2SLC6A4
SCHEMBL12142605 0.85 SLC7A5 (0.57) SLC6A3
SCHEMBL20751459 0.83 ANPEP (0.37) TAAR1SLC6A2
SCHEMBL14679503 0.83 ANPEP (0.37) TAAR1SLC6A2
SCHEMBL15080989 0.81 ALDH1A1 (0.45)
SCHEMBL16360424 0.81 EPHX2 (0.47)
SCHEMBL251733 0.79 ANPEP (0.62) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL5183224 0.79 ANPEP (0.62) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL8136474 0.79 TAAR1 (0.59) TAAR1SLC6A2SLC6A3SLC6A4MAOA

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
EP-3336103-B1 ANTIBODIES COMPRISING MULTIPLE SITE-SPECIFIC NON-NATURAL AMINO ACID RESIDUES, METHODS OF THEIR PREPARATION AND METHODS OF THEIR USE SUTRO BIOPHARMA INC (US) 2021-03-17 EP disclosed