SCHEMBL21634016

SCHEMBL21634016

O=C(c1ccc2onnc2c1)N1C2CCC1CC(O)C2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.39
TRPV4 Q9HBA0 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
HCAR3 P49019 1/20 0.35
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 0.34
KMT2A Q03164 1/20 0.34
KDM1A O60341 7/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
ELOVL6 Q9H5J4 1/20 0.33
POLB P06746 2/20 0.32

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
SCHEMBL548631 0.78 GRIA3 (0.53) VNN1TRPV4HCAR3KDM1AGRIA3
SCHEMBL3116608 0.72 TTR (0.43) VNN1NPC1RAB9APRMT5WDR77
SCHEMBL2779111 0.72 HDAC6 (0.32) GRIA3GRIA4
SCHEMBL3102517 0.72 TTR (0.47) VNN1KMT2AKDM1A
SCHEMBL2776562 0.70 TDP1 (0.44) NPC1RAB9AHCAR3KMT2APOLB
SCHEMBL15019261 0.69 TSHR (0.40) KMT2A
SCHEMBL21162194 0.69 ELOVL6 (0.53) VNN1ELOVL6POLB
SCHEMBL3809628 0.68 F10 (0.46) VNN1NPC1RAB9AKMT2AKDM1A
SCHEMBL1308010 0.68 HPGD (0.46) VNN1NPC1RAB9AKMT2AKDM1A
SCHEMBL10032960 0.67 GRIA3 (0.60) HCAR3GRIA3GRIA4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3829567-A1 CLINICAL METHODS AND PHARMACEUTICAL COMPOSITIONS EMPLOYING AMPA RECEPTOR ANTAGONISTS TO TREAT GLIOBLASTOMA AND OTHER CANCERS With Great Power, LLC (US) 2021-06-09 EP disclosed
WO-2020023800-A1 CLINICAL METHODS AND PHARMACEUTICAL COMPOSITIONS EMPLOYING AMPA RECEPTOR ANTAGONISTS TO TREAT GLIOBLASTOMA AND OTHER CANCERS WITH GREAT POWER, LLC (US) 2020-01-30 WO disclosed