SCHEMBL25839821

SCHEMBL25839821

CC(C)C1CC(OCc2ccncc2)CN1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
PIK3CD O00329 1/20 0.36
CYP19A1 P11511 5/20 0.34
NAAA Q02083 3/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
ACACB O00763 1/20 0.33
CYP17A1 P05093 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSK P43235 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL14591910 0.86 CTSL (0.46) NAAACTSLCTSBCTSK
SCHEMBL25839820 0.85 CHRM2 (0.52) PIK3CDCYP19A1NAAACHRM2CHRM1
SCHEMBL25839819 0.78 DRD4 (0.39) ACACB
SCHEMBL15396078 0.73
SCHEMBL2706056 0.73
SCHEMBL26178400 0.72 CTSL (0.34) CTSLCTSBCTSK
SCHEMBL25758911 0.70 CTSL (0.47) NAAACTSLCTSBCTSKMEN1
SCHEMBL26351927 0.70 CYP19A1 (0.48) CYP19A1NAAACHRM2CHRM1CHRM3
SCHEMBL14591898 0.68 CHRM2 (0.31) CHRM2CHRM1
SCHEMBL21896751 0.68 LIPE (0.31)

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-2023125825-A1 ANTICORONVIRAL COMPOUNDS AND COMPOSITIONS AND USES THEREOF SHANGHAI CUREGENE PHARMACEUTICAL CO., LTD. (CN) 2023-07-06 WO disclosed