SCHEMBL30006635

SCHEMBL30006635

CC(=O)Nc1cccc2c1cnn2C

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.53
CCR4 P51679 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDR P35968 1/20 0.45

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
SCHEMBL2360066 0.86 TRPV1 (0.55) TRPV1CCR4
SCHEMBL31511744 0.86 TRPV1 (0.55) TRPV1CCR4
SCHEMBL11949096 0.85 TRPV1 (0.57) TRPV1
SCHEMBL29334882 0.84 TRPV1 (0.50) TRPV1CCR4
SCHEMBL31320721 0.82 TRPV1 (0.55) TRPV1MEN1KMT2A
SCHEMBL20423769 0.81 TRPV1 (0.48) TRPV1MEN1KMT2A
SCHEMBL20424005 0.81 ALDH1A1 (0.45) MEN1KMT2A
SCHEMBL617561 0.79 TRPV1 (0.52) TRPV1CCR4MEN1KMT2AKDR
SCHEMBL29318661 0.79 CCR4 (0.41) TRPV1CCR4MEN1KMT2AKDR
SCHEMBL8312915 0.78 CCR4 (0.55) TRPV1CCR4MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4337642-A1 ETHACRYNIC ACID DERIVATIVES AS INHIBITORS OF MPRO PROTEASE AND SARS-COV-2 REPLICATION Universite Euro-Mediterraneenne de Fes (MA) 2024-03-20 EP claimed
WO-2022240277-A1 ETHACRYNIC ACID DERIVATIVES AS INHIBITORS OF MPRO PROTEASE AND SARS-COV-2 REPLICATION UNIVERSITE EURO-MEDITERRANEENNE DE FES (MA) 2022-11-17 WO claimed
EP-4337642-A1 ETHACRYNIC ACID DERIVATIVES AS INHIBITORS OF MPRO PROTEASE AND SARS-COV-2 REPLICATION Universite Euro-Mediterraneenne de Fes (MA) 2024-03-20 EP disclosed
WO-2022240277-A1 ETHACRYNIC ACID DERIVATIVES AS INHIBITORS OF MPRO PROTEASE AND SARS-COV-2 REPLICATION UNIVERSITE EURO-MEDITERRANEENNE DE FES (MA) 2022-11-17 WO disclosed