SCHEMBL31599475

SCHEMBL31599475

C[C@@H](O)[C@H](N)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.54
TACR1 P25103 19/20 0.52
MAPT P10636 1/20 0.50

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
SCHEMBL29697171 1.00 SLC6A2 (0.54) SLC6A2TACR1MAPT
SCHEMBL29696994 0.88 TACR1 (0.48) SLC6A2TACR1MAPT
SCHEMBL29696977 0.86 NMUR2 (0.56) SLC6A2
SCHEMBL31599477 0.86 OPRM1 (0.49) SLC6A2
SCHEMBL30866227 0.84 TACR1 (0.53) SLC6A2TACR1
SCHEMBL29697005 0.84 NMUR2 (0.57) SLC6A2
SCHEMBL29453074 0.83 SLC6A2 (0.65) SLC6A2
SCHEMBL29697064 0.83 NMUR2 (0.55)
SCHEMBL30424040 0.81 SLC6A2 (0.62) SLC6A2
SCHEMBL30051364 0.80 DPP3 (0.60) SLC6A2TACR1

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
WO-2025111511-A2 REVERSIBLY REACTIVE AFFINITY SELECTION MASS SPECTROMETRY AND USES THEREOF CALICO LIFE SCIENCES LLC (US) 2025-05-30 WO disclosed