SCHEMBL21808057

SCHEMBL21808057

CCCn1cnc(-c2nnc(C)o2)n1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.32
▸ GABRA1 P14867 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ GABRA2 P47869 1/20 0.31

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
SCHEMBL21807966 0.87 BRD4 (0.33) BRD4
SCHEMBL21807979 0.83 ABL1 (0.31) —
SCHEMBL21807976 0.70 NPC1 (0.33) —
SCHEMBL2937478 0.68 — —
SCHEMBL12394476 0.66 CRHR1 (0.36) —
SCHEMBL21808110 0.65 ACACB (0.43) —
SCHEMBL28875203 0.65 HDAC1 (0.49) —
SCHEMBL15599482 0.64 BRD4 (0.40) BRD4
SCHEMBL12394467 0.63 ADORA2A (0.31) —
SCHEMBL2265756 0.63 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020060963-A1 1, 3, 4-OXADIAZOLE DERIVATIVES AND USES THEREOF ALXERION BIOTECH CORP. (US) 2020-03-26 — — WO disclosed
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