SCHEMBL24405682

SCHEMBL24405682

Cn1c(=O)n(-c2ccc(CCCO)nc2)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.36
▸ TRPC5 Q9UL62 2/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MAP4K1 Q92918 1/20 0.33
▸ AGER Q15109 1/20 0.33
▸ NPEPPS P55786 1/20 0.33
▸ PDE10A Q9Y233 2/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL24405700 0.83 NPEPPS (0.42) PGRGSK3BTSHRMEN1KMT2A
SCHEMBL24405718 0.82 PIK3CD (0.36) PGRGSK3BTSHRMEN1KMT2A
SCHEMBL21474179 0.81 GAA (0.39) PGRTRPC5GSK3BTSHRMEN1
SCHEMBL21474157 0.77 POLB (0.41) PGRGSK3BTSHRMEN1KMT2A
SCHEMBL24405558 0.76 PGR (0.43) PGRGSK3BMEN1KMT2ACYP1A2
SCHEMBL24405891 0.75 PGR (0.33) PGRGSK3BCYP1A2MAP4K1AGER
SCHEMBL24405387 0.75 HCAR3 (0.43) PGRGSK3BCYP1A2NPEPPSPIK3CD
SCHEMBL24405534 0.73 PGR (0.38) PGRGSK3BCYP1A2MAP4K1AGER
SCHEMBL24405723 0.73 GAA (0.39) PGRGSK3BTSHRMEN1KMT2A
SCHEMBL23119712 0.72 GAA (0.40) PGRGSK3BTSHRMEN1KMT2A

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-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 — — EP disclosed
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