SCHEMBL25810758

SCHEMBL25810758

CN(C)C1CCN(c2ccc3cc(C(=O)O)sc3c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.42
BCL2L1 Q07817 1/20 0.41
PLK1 P53350 4/20 0.40
NR1H4 Q96RI1 2/20 0.40
RPA1 P27694 5/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
GPR35 Q9HC97 1/20 0.38
USP2 O75604 1/20 0.38
TBXAS1 P24557 1/20 0.37
STAT3 P40763 1/20 0.37

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
SCHEMBL30492883 1.00 CHRNA7 (0.42) CHRNA7BCL2L1PLK1NR1H4RPA1
SCHEMBL30492862 0.86 USP2 (0.54) CHRNA7BCL2L1NR1H4RPA1GPR35
SCHEMBL25810273 0.86 USP2 (0.54) CHRNA7BCL2L1NR1H4RPA1GPR35
SCHEMBL25810757 0.84 LGMN (0.45) CHRNA7PLK1TMEM97SIGMAR1STAT3
SCHEMBL30492806 0.84 LGMN (0.45) CHRNA7PLK1TMEM97SIGMAR1STAT3
SCHEMBL25296879 0.81 HRH4 (0.49) CHRNA7BCL2L1RPA1GPR35
SCHEMBL31025961 0.81 HRH4 (0.49) CHRNA7BCL2L1RPA1GPR35
SCHEMBL17858475 0.80 IP6K1 (0.50) CHRNA7BCL2L1NR1H4RPA1GPR35
SCHEMBL30492925 0.80 CHRNA7 (0.46) CHRNA7BCL2L1NR1H4RPA1GPR35
SCHEMBL25809845 0.80 CHRNA7 (0.46) CHRNA7BCL2L1NR1H4RPA1GPR35

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-2023125376-A1 FUSED BICYCLIC HETEROARYL AMIDE COMPOUND AS PROTEIN AGGREGATION INHIBITOR 上海京新生物医药有限公司 2023-07-06 WO disclosed