SCHEMBL23979029

SCHEMBL23979029

N[C@@H](CNC(=O)NC1CCc2cc(Cl)ccc21)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.46
EPHX2 P34913 4/20 0.45
LIPG Q9Y5X9 1/20 0.45
P2RX7 Q99572 1/20 0.40
PDE10A Q9Y233 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL23978895 1.00 TRPV1 (0.46) TRPV1EPHX2LIPGP2RX7PDE10A
SCHEMBL26508355 0.89 EPHX2 (0.45) TRPV1EPHX2LIPGPDE10ACA1
SCHEMBL23978772 0.88 EPHX2 (0.58) EPHX2LIPG
SCHEMBL30083826 0.88 EPHX2 (0.58) EPHX2LIPG
SCHEMBL30083831 0.88 EPHX2 (0.58) EPHX2LIPG
SCHEMBL23978767 0.88 EPHX2 (0.58) EPHX2LIPG
SCHEMBL24803485 0.88 EPHX2 (0.58) EPHX2LIPG
SCHEMBL24804785 0.85 TRPV1 (0.45) TRPV1EPHX2LIPGP2RX7PDE10A
SCHEMBL29019137 0.85 TRPV1 (0.50) TRPV1EPHX2P2RX7PDE10ACA1
SCHEMBL23978896 0.82 CACNA1B (0.47) TRPV1EPHX2

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-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 WO disclosed