SCHEMBL25738094

SCHEMBL25738094

COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)C(C(F)(F)F)C2)cn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 14/20 0.47
▸ NR1H3 Q13133 12/20 0.47
▸ GPR119 Q8TDV5 1/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ AR P10275 1/20 0.39

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
SCHEMBL25738095 0.89 MEN1 (0.45) NR1H2NR1H3MEN1MAPTTSHR
SCHEMBL25738205 0.86 GPR119 (0.49) NR1H2NR1H3GPR119HRH3MEN1
SCHEMBL24649853 0.86 GPR119 (0.49) NR1H2NR1H3GPR119HRH3MEN1
SCHEMBL24649915 0.86 GPR119 (0.49) NR1H2NR1H3GPR119HRH3MEN1
SCHEMBL25738081 0.84 NR1H2 (0.58) NR1H2NR1H3GPR119HRH3MEN1
SCHEMBL31612861 0.84 HRH3 (0.48) NR1H2NR1H3GPR119HRH3MEN1
SCHEMBL12306721 0.84 GPR119 (0.46) NR1H2NR1H3GPR119HRH3MEN1
SCHEMBL25738475 0.83 GPR119 (0.45) NR1H2NR1H3GPR119HRH3MEN1
SCHEMBL25738087 0.83 GPR119 (0.45) NR1H2NR1H3GPR119HRH3MEN1
SCHEMBL25738176 0.83 GPR119 (0.45) NR1H2NR1H3GPR119HRH3MEN1

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-2023109521-A1 PARP INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 凯复(苏州)生物医药有限公司 2023-06-22 — — WO disclosed
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