SCHEMBL21093972

SCHEMBL21093972

CCC(CC)(C(=O)OCc1ccccc1)[C@H]1CCC(c2cc(F)cc(Cl)c2)=N1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 3/20 0.35
▸ XPO1 O14980 1/20 0.35
▸ PTGDR2 Q9Y5Y4 3/20 0.35
▸ GPBAR1 Q8TDU6 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TRPC3 Q13507 2/20 0.34
▸ TRPC7 Q9HCX4 2/20 0.34
▸ DHODH Q02127 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL21093964 0.88 PTGES (0.38) GPBAR1
SCHEMBL21094093 0.88 MAPT (0.39) GPBAR1LMNAMAPTKMT2A
SCHEMBL21094405 0.88 PKM (0.40) LMNAMAPTDHODHPKM
SCHEMBL21094395 0.85 ALDH1A1 (0.38) CHRM3
SCHEMBL21093670 0.77 TRPM8 (0.43) CHRM3LMNAMAPTKMT2A
SCHEMBL21093967 0.73 PKM (0.37) GPBAR1KMT2APKM
SCHEMBL21094101 0.71 KIF11 (0.41) MAPT
SCHEMBL28907110 0.71 XPO1 (0.44) CHRM3XPO1LMNAMAPTKMT2A
SCHEMBL21094393 0.71 NPC1 (0.40) —
SCHEMBL21094102 0.69 KIF11 (0.38) MAPT

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-2019112024-A1 PYRROLIDINE COMPOUND キッセイ薬品工業株式会社 2019-06-13 — — WO disclosed
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