SCHEMBL29548473

SCHEMBL29548473

COc1c(O)ccn2ncc(C3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)c12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 4/20 0.37
▸ RET P07949 3/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ NPBWR1 P48145 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SCD5 Q86SK9 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL29548391 0.89 SPR (0.40) SPRRETCYP11B2ACACBNPBWR1
SCHEMBL29548481 0.89 SPR (0.37) SPRRETCYP11B2POLBACACB
SCHEMBL29548733 0.86 RET (0.41) SPRRETGPR119
SCHEMBL29548305 0.80 SPR (0.40) SPRRETCYP11B2ACACBSCD5
SCHEMBL29548575 0.75 GPR119 (0.37) SPRMAPTTP53LMNAMEN1
SCHEMBL29548514 0.75 GPR119 (0.44) SPRRETCYP11B2ACACBSCD5
SCHEMBL29548540 0.72 RET (0.39) SPRRETSCD5GPR119
SCHEMBL25412980 0.71 PDE4B (0.49) —
SCHEMBL25757796 0.70 DGAT1 (0.43) POLBMAPTTP53NPBWR1MCHR1
SCHEMBL26631332 0.70 HDAC2 (0.40) SPRPOLBACACBMAPTTHRB

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-2022070288-A1 NITROGEN-CONTAINING BICYCLIC COMPOUND 旭化成ファーマ株式会社 2022-04-07 — — WO disclosed
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