SCHEMBL28292616

SCHEMBL28292616

NC(=O)Oc1ccc(C(=O)N2CC[C@@H](O)C2)nc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.46
KMT2A Q03164 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.41
HRH3 Q9Y5N1 4/20 0.40
KCNH2 Q12809 1/20 0.40
DRD3 P35462 1/20 0.40
GRM3 Q14832 1/20 0.40
VNN1 O95497 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL28292584 1.00 SCN9A (0.46) SCN9AKMT2AL3MBTL3L3MBTL1RAB9A
SCHEMBL28292628 0.93 KMT2A (0.52) SCN9AKMT2AL3MBTL3L3MBTL1RAB9A
SCHEMBL28292599 0.93 KMT2A (0.52) SCN9AKMT2AL3MBTL3L3MBTL1RAB9A
SCHEMBL28940974 0.93 KMT2A (0.52) SCN9AKMT2AL3MBTL3L3MBTL1RAB9A
SCHEMBL28294319 0.92 HRH3 (0.47) SCN9AL3MBTL3L3MBTL1RAB9AHRH3
SCHEMBL28940980 0.84 SCN9A (0.48) SCN9AKMT2AL3MBTL3L3MBTL1RAB9A
SCHEMBL28294359 0.84 SCN9A (0.48) SCN9AKMT2AL3MBTL3L3MBTL1RAB9A
SCHEMBL28872982 0.78 SMN1; SMN2 (0.62) SCN9ARAB9AHRH3DRD3SMN1; SMN2
SCHEMBL28941103 0.78 SCN9A (0.49) SCN9AKMT2AHRH3KCNH2DRD3
SCHEMBL28941076 0.78 SCN9A (0.49) SCN9AKMT2AHRH3KCNH2DRD3

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-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN claimed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
CN-109689647-A The compound that bicyclic heteroaryl replaces 百时美施贵宝公司 2019-04-26 CN disclosed