SCHEMBL25810786

SCHEMBL25810786

CC(C)(C)OC(=O)N1CC2(C1)CN(c1ccc3cc(C(=O)O)sc3c1)C2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.41
EGLN2 Q96KS0 1/20 0.41
CYP2C9 P11712 1/20 0.38
NAMPT P43490 1/20 0.38
RPA1 P27694 3/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SCD5 Q86SK9 1/20 0.37
BCL2L1 Q07817 1/20 0.36
PDK2 Q15119 1/20 0.36
CYP11B2 P19099 1/20 0.36
GPR119 Q8TDV5 4/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
NR1H4 Q96RI1 2/20 0.36
RORC P51449 2/20 0.35

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
SCHEMBL30492870 1.00 ACKR3 (0.41) ACKR3EGLN2CYP2C9NAMPTRPA1
SCHEMBL25810669 0.91 SCD5 (0.43) ACKR3CYP2C9NAMPTALDH1A1LMNA
SCHEMBL31025966 0.88 ACKR3 (0.40) ACKR3EGLN2CYP2C9NAMPTALDH1A1
SCHEMBL30492841 0.88 ACKR3 (0.40) ACKR3EGLN2CYP2C9NAMPTALDH1A1
SCHEMBL25252167 0.86 MAPT (0.53) ACKR3CYP2C9NAMPTALDH1A1LMNA
SCHEMBL30492816 0.86 MAPT (0.53) ACKR3CYP2C9NAMPTALDH1A1LMNA
SCHEMBL25810667 0.79 ACKR3 (0.41) ACKR3CYP2C9NAMPTALDH1A1LMNA
SCHEMBL25253830 0.78 BCL2L1 (0.42) RPA1BCL2L1NR1H4
SCHEMBL25297616 0.78 BCL2L1 (0.46) RPA1BCL2L1NR1H4
SCHEMBL21877295 0.76 PARP1 (0.45) EGLN2ALDH1A1LMNAMAPTPDK2

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