SCHEMBL29019137

SCHEMBL29019137

NC(CNC(=O)N[C@@H]1CCc2cc(Cl)ccc21)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.50
P2RX7 Q99572 1/20 0.43
EPHX2 P34913 2/20 0.42
CASR P41180 2/20 0.41
PDE10A Q9Y233 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
MAPK1 P28482 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39

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 0.85 TRPV1 (0.46) TRPV1P2RX7EPHX2PDE10ACA1
SCHEMBL23979029 0.85 TRPV1 (0.46) TRPV1P2RX7EPHX2PDE10ACA1
SCHEMBL30279329 0.83 EPHX2 (0.60) EPHX2CA1CA2
SCHEMBL24804265 0.83 EPHX2 (0.60) EPHX2CA1CA2
SCHEMBL13585440 0.83 EPHX2 (0.60) EPHX2CA1CA2
SCHEMBL23978684 0.83 EPHX2 (0.60) EPHX2CA1CA2
SCHEMBL24803505 0.81 TRPV1 (0.58) TRPV1P2RX7EPHX2PDE10ACA12
SCHEMBL24804785 0.79 TRPV1 (0.45) TRPV1P2RX7EPHX2PDE10A
SCHEMBL4015713 0.79 TRPV1 (0.58) TRPV1P2RX7EPHX2PDE10AMAPK1
SCHEMBL29019147 0.78 TRPV1 (0.45) TRPV1PDE10A

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
CN-115916176-A Inhibitors of alpha 2 beta 1 integrin and methods of use thereof 加利福尼亚大学董事会 2023-04-04 CN disclosed