SCHEMBL29548522

SCHEMBL29548522

Oc1ccn2ncc(C3CCC4(CC3)OCCO4)c2c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PDE10A Q9Y233 6/20 0.32
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ CAMKK1 Q8N5S9 1/20 0.30
▸ CAMKK2 Q96RR4 1/20 0.30

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
SCHEMBL29548852 0.81 CAMKK1 (0.34) PDE10ACAMKK1CAMKK2
SCHEMBL29548217 0.80 ALDH1A1 (0.40) ALDH1A1L3MBTL1PDE10ATSHRNPSR1
SCHEMBL29549126 0.79 PDE10A (0.34) PDE10ACAMKK1CAMKK2
SCHEMBL29548244 0.78 ALDH1A1 (0.34) ALDH1A1L3MBTL1PDE10ATSHRNPSR1
SCHEMBL29548569 0.78 GRIN1 (0.50) ALDH1A1PDE10AGRIN1GRIN2BNPSR1
SCHEMBL29548356 0.77 PIK3CA (0.32) CAMKK1CAMKK2
SCHEMBL29548173 0.73 PDE10A (0.34) PDE10A
SCHEMBL29548866 0.73 — —
SCHEMBL5363819 0.72 TYR (0.39) ALDH1A1GRIN1GRIN2BMAPTMAPK1
SCHEMBL29548251 0.71 JAK2 (0.36) —

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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