SCHEMBL26601574

SCHEMBL26601574

N#Cc1ccncc1OC[C@H]1CCN(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.43
▸ RBP4 P02753 3/20 0.42
▸ IRAK4 Q9NWZ3 5/20 0.41
▸ XDH P47989 3/20 0.39
▸ JAK3 P52333 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ELANE P08246 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37

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
SCHEMBL30624264 0.85 GPR119 (0.58) GPR119
SCHEMBL30624457 0.83 GPR119 (0.41) GPR119RBP4IRAK4CYP3A4CYP2D6
SCHEMBL26601448 0.82 RBP4 (0.42) RBP4IRAK4JAK3CYP3A4CYP2D6
SCHEMBL21179334 0.81 GPR6 (0.41) GPR119ELANE
SCHEMBL21179390 0.81 GPR6 (0.41) GPR119ELANE
SCHEMBL22588650 0.81 IRAK4 (0.44) IRAK4
SCHEMBL22588613 0.81 IRAK4 (0.44) IRAK4
SCHEMBL25317956 0.79 CHRNB2 (0.41) GPR119IRAK4XDHELANE
SCHEMBL22588495 0.79 CHRNB2 (0.41) GPR119IRAK4XDHELANE
SCHEMBL22588521 0.79 CHRNB2 (0.41) GPR119IRAK4XDHELANE

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-2023205595-A2 EGFR INHIBITORS IN CANCER TREATMENT CELYN THERAPEUTICS, INC (US) 2023-10-26 — — WO disclosed
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