SCHEMBL30394476

SCHEMBL30394476

Cc1c(OCCCNCc2ccccn2)cccc1-c1cccc(OCCCN2CC[C@@H](O)C2)c1C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 17/20 0.54
PDCD1 Q15116 14/20 0.54
VSIR Q9H7M9 12/20 0.54
SCN8A Q9UQD0 1/20 0.47
NMT2 O60551 1/20 0.41
NMT1 P30419 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL19897696 1.00 CD274 (0.54) CD274PDCD1VSIRSCN8ANMT2
SCHEMBL19897693 1.00 CD274 (0.54) CD274PDCD1VSIRSCN8ANMT2
SCHEMBL19897542 0.92 CD274 (0.50) CD274PDCD1VSIRALDH1A1
SCHEMBL19897541 0.92 CD274 (0.50) CD274PDCD1VSIRALDH1A1
SCHEMBL30394665 0.86 CD274 (0.59) CD274PDCD1VSIR
SCHEMBL19897882 0.86 CD274 (0.59) CD274PDCD1VSIR
SCHEMBL19897881 0.86 CD274 (0.59) CD274PDCD1VSIR
SCHEMBL19937803 0.86 SCN8A (0.53) CD274PDCD1VSIRSCN8ANMT2
SCHEMBL19897912 0.84 PDCD1 (0.60) CD274PDCD1VSIRSCN8ANMT2
SCHEMBL30394805 0.84 PDCD1 (0.60) CD274PDCD1VSIRSCN8ANMT2

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
CN-109863146-B Biaryl compounds as immunomodulators 百时美施贵宝公司 2023-02-28 CN claimed
CN-109863146-B Biaryl compounds as immunomodulators 百时美施贵宝公司 2023-02-28 CN disclosed