SCHEMBL31456935

SCHEMBL31456935

O=C(OCc1ccccc1)N1CCC(c2nc3ncnc(Cl)c3[nH]2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 12/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ CYP2C19 P33261 1/20 0.48
▸ JAK2 O60674 3/20 0.47
▸ JAK1 P23458 3/20 0.47
▸ TYK2 P29597 3/20 0.47
▸ JAK3 P52333 2/20 0.47
▸ CYP2D6 P10635 3/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ TRPC3 Q13507 1/20 0.46
▸ TRPC7 Q9HCX4 1/20 0.46
▸ PRMT5 O14744 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
SCHEMBL27376333 1.00 GRIN2B (0.51) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL31456975 0.89 GRIN2B (0.50) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL31456954 0.87 GRIN2B (0.48) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL31456970 0.86 GRIN2B (0.49) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL30751401 0.83 AADAT (0.44) GRIN2B
SCHEMBL30751297 0.83 AADAT (0.44) GRIN2B
SCHEMBL2307512 0.77 GRIN2B (0.72) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL12210756 0.75 SMN1; SMN2 (0.58) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL25291831 0.74 SMN1; SMN2 (0.57) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL9977252 0.73 SMN1; SMN2 (0.54) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19

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
CN-119654324-A Novel compounds as hypoxia inducible factor 1 (HIF-1) inhibitors or Vascular Endothelial Growth Factor (VEGF) inhibitors and pharmaceutical compositions comprising the same 株式会社次代生物科学 2025-03-18 — — CN disclosed
Send feedback