SCHEMBL21094093

SCHEMBL21094093

CCC(CC)(C(=O)OCc1ccccc1)[C@H]1CCC(c2cccc(Cl)c2)=N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ORAI1 Q96D31 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ BRD2 P25440 1/20 0.36
▸ BRD3 Q15059 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ SLC16A3 O15427 2/20 0.36
▸ MCTS1 Q9ULC4 2/20 0.36
▸ SLC16A1 P53985 1/20 0.36
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.35
▸ PTGES O14684 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL21094395 0.90 ALDH1A1 (0.38) SMN1; SMN2
SCHEMBL21094405 0.88 PKM (0.40) MAPTLMNATRPM8SLC16A3MCTS1
SCHEMBL21093972 0.88 CHRM3 (0.35) MAPTLMNAKMT2AGPBAR1
SCHEMBL21094101 0.84 KIF11 (0.41) MAPTORAI1KIF11TRPM8BRD4
SCHEMBL21094102 0.82 KIF11 (0.38) MAPTORAI1KIF11TRPM8BRD4
SCHEMBL21094089 0.81 CNR2 (0.38) MAPTKIF11TRPM8BRD4
SCHEMBL21093657 0.79 CA1 (0.43) KIF11TRPM8
SCHEMBL21093964 0.79 PTGES (0.38) GPBAR1PTGES
SCHEMBL21093661 0.79 SLC6A3 (0.39) MAPTLMNAKMT2AKIF11TRPM8
SCHEMBL21093670 0.77 TRPM8 (0.43) MAPTLMNAKMT2ATRPM8L3MBTL1

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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