SCHEMBL24819773

SCHEMBL24819773

CC1CCC(n2nc3ccccn3c2=O)CCC(C)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.39
▸ SCN5A Q14524 4/20 0.39
▸ POLB P06746 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GPR139 Q6DWJ6 3/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ ADORA3 P0DMS8 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ADORA2A P29274 1/20 0.33

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
SCHEMBL24820619 0.94 KCNH2 (0.38) KCNH2SCN5AGPR139RXFP1HTR1A
SCHEMBL30592053 0.69 GPR139 (0.33) KCNH2SCN5AGPR139IRAK4
SCHEMBL13063803 0.68 ADORA3 (0.46) KCNH2HSD17B10GPR139RXFP1HTR1A
SCHEMBL25199276 0.68 AHR (0.33) —
SCHEMBL25512533 0.68 GPR139 (0.33) KCNH2GPR139
SCHEMBL21477243 0.68 CRBN (0.51) —
SCHEMBL22564943 0.67 AR (0.35) KCNH2SCN5A
SCHEMBL22564922 0.67 PGR (0.47) —
SCHEMBL10233360 0.63 ADORA3 (0.41) HSD17B10GPR139HTR1ADRD2HTR2A
SCHEMBL10278288 0.63 GPR139 (0.49) KCNH2HSD17B10GPR139HTR1ADRD2

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-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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