SCHEMBL29673286

SCHEMBL29673286

CC(C)n1nnc2cc(C(=O)NN)ccc21

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 8/20 0.70
HPGD P15428 3/20 0.70
HCAR2 Q8TDS4 1/20 0.70
MAPT P10636 4/20 0.48
POLB P06746 2/20 0.48
RAB9A P51151 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL20587465 1.00 HCAR3 (0.70) HCAR3HPGDHCAR2MAPTPOLB
SCHEMBL20588071 0.84 HCAR3 (0.76) HCAR3HPGDHCAR2MAPTPOLB
SCHEMBL839123 0.82 HCAR3 (1.00) HCAR3HPGDHCAR2
SCHEMBL10242669 0.82 HCAR3 (0.78) HCAR3HPGDHCAR2MAPTPOLB
SCHEMBL20587471 0.82 HCAR3 (0.72) HCAR3HPGDHCAR2MAPTPOLB
SCHEMBL29069383 0.81 MAPT (0.70) HCAR3HPGDMAPTPOLBRAB9A
SCHEMBL1020492 0.81 HCAR3 (0.76) HCAR3HPGDHCAR2MAPTPOLB
SCHEMBL30767829 0.81 MAPT (0.70) HCAR3HPGDMAPTPOLBRAB9A
SCHEMBL23657546 0.80 RAB9A (0.72) HCAR3HPGDHCAR2MAPTPOLB
SCHEMBL20587483 0.78 HCAR3 (0.67) HCAR3HPGDHCAR2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585360-B Methods of using the same for treating epilepsy 特维娜有限公司 2025-04-29 CN disclosed
EP-4025211-A1 METHODS OF TREATING EPILEPSY USING THE SAME Trevena, Inc. (US) 2022-07-13 EP disclosed
CN-114585360-A Methods of using the same for the treatment of epilepsy 特维娜有限公司 2022-06-03 CN disclosed