SCHEMBL31581713

SCHEMBL31581713

O=C(O)C1CC(Nc2ncc(C(F)(F)F)cn2)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 11/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ HCRTR2 O43614 8/20 0.40
▸ HSD11B1 P28845 2/20 0.39
▸ CCNK O75909 1/20 0.39
▸ CDK12 Q9NYV4 1/20 0.39
▸ MAPK3 P27361 1/20 0.39
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC6 Q9UBN7 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
SCHEMBL31581627 0.84 HCRTR1 (0.46) HCRTR1PTGDR2HCRTR2CCNKCDK12
SCHEMBL26120478 0.79 CCNK (0.47) HCRTR1PTGDR2HCRTR2CCNKCDK12
SCHEMBL25533413 0.77 USP30 (0.40) PTGDR2CCNKCDK12
SCHEMBL25234548 0.77 USP30 (0.40) PTGDR2CCNKCDK12
Trifluoroacetic Acid SCHEMBL30915024 0.76 HRH4 (0.49) HCRTR1PTGDR2CCNKCDK12HDAC3
SCHEMBL18607391 0.75 ULK1 (0.55) HCRTR1HDAC3HDAC1HDAC2HDAC6
SCHEMBL27233778 0.75 CDK12 (0.56) HCRTR1PTGDR2HSD11B1CCNKCDK12
SCHEMBL27233705 0.75 CDK12 (0.56) HCRTR1PTGDR2HSD11B1CCNKCDK12
SCHEMBL27233710 0.75 CDK12 (0.56) HCRTR1PTGDR2HSD11B1CCNKCDK12
SCHEMBL26126794 0.73 IDH2 (0.40) HCRTR1

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-2025103475-A1 HETEROCYCLIC CARBONYL DERIVATIVE MODULATOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海翰森生物医药科技有限公司 2025-05-22 — — WO disclosed
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