SCHEMBL23292322

SCHEMBL23292322

CCCCOC(=O)N1CC[C@H](Nc2ccc(C)cn2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 5/20 0.52
▸ NOS1 P29475 4/20 0.52
▸ NOS3 P29474 2/20 0.52
▸ CCNK O75909 3/20 0.51
▸ CDK12 Q9NYV4 3/20 0.51
▸ CCR6 P51684 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ PDE10A Q9Y233 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NR2F2 P24468 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CDK7 P50613 1/20 0.40

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
SCHEMBL23292432 0.88 CCNK (0.51) NOS2NOS1NOS3CCNKCDK12
SCHEMBL23292267 0.86 CYP3A4 (0.55) NOS2NOS1NOS3CCNKCDK12
SCHEMBL9108352 0.84 NOS2 (0.70) NOS2NOS1NOS3CCR6MAP4K4
SCHEMBL30458637 0.82 NOS2 (0.46) NOS2NOS1NOS3MAP4K4MAPT
SCHEMBL595392 0.81 NOS2 (0.59) NOS2NOS1NOS3CCNKCDK12
SCHEMBL595393 0.81 NOS2 (0.59) NOS2NOS1NOS3CCNKCDK12
SCHEMBL23292281 0.80 USP30 (0.54) CCNKCDK12CCR6PDE10AMAPT
SCHEMBL22895552 0.80 USP30 (0.54) CCNKCDK12CCR6PDE10AMAPT
SCHEMBL28911208 0.80 USP30 (0.54) CCNKCDK12CCR6PDE10AMAPT
SCHEMBL28559025 0.79 CCNK (0.60) NOS2NOS1NOS3CCNKCDK12

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
EP-3813819-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES Kinnate Biopharma Inc. (US) 2021-05-05 — — EP disclosed
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