SCHEMBL23408331

SCHEMBL23408331

Cc1nc(C2=CCN(C(=O)OC(C)(C)C)CC2)cs1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 11/20 0.53
▸ GRM5 P41594 10/20 0.53
▸ GPR119 Q8TDV5 2/20 0.50
▸ PDK4 Q16654 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ NAMPT P43490 1/20 0.45
▸ ENPP2 Q13822 2/20 0.45
▸ WNT3A P56704 1/20 0.45

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
SCHEMBL22290520 0.88 GRM1 (0.53) GRM1GRM5GPR119PDK4NAMPT
SCHEMBL29150020 0.88 GRM1 (0.53) GRM1GRM5GPR119PDK4NAMPT
SCHEMBL31704677 0.84 GRM1 (0.50) GRM1GRM5GPR119PDK4NAMPT
SCHEMBL31705698 0.84 GRM1 (0.50) GRM1GRM5GPR119PDK4NAMPT
SCHEMBL30711189 0.82 RAB9A (0.44) GRM1GRM5KDM4E
SCHEMBL9094797 0.80 PDK4 (0.49) GRM1GRM5GPR119PDK4
SCHEMBL30308912 0.80 GRM1 (0.64) GRM1GRM5GPR119PDK4NAMPT
SCHEMBL3642040 0.80 GRM1 (0.54) GRM1GRM5GPR119PDK4NAMPT
SCHEMBL16544582 0.79 GRM5 (0.59) GRM1GRM5PDK4NAMPTWNT3A
SCHEMBL25480230 0.79 GRM1 (0.59) GRM1GRM5GPR119PDK4NAMPT

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-2021102468-A1 SUBSTITUTED 1,5-NAPHTHYRIDINES OR QUINOLINES AS ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 — — WO disclosed
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