SCHEMBL29229799

SCHEMBL29229799

Cc1nnc(CC(O)c2cc(OC(F)C(F)CCF)ccc2Cl)o1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 4/20 0.35
▸ GRIN2B Q13224 4/20 0.35
▸ GPR88 Q9GZN0 2/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32

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
SCHEMBL29229798 0.89 GRIN2B (0.34) GRIN1GRIN2BGPR88
SCHEMBL29229806 0.89 GRIN2B (0.34) GRIN1GRIN2BGPR88
SCHEMBL29229792 0.89 GRIN2B (0.34) GRIN1GRIN2BGPR88
SCHEMBL29229794 0.81 GPR88 (0.37) GPR88
SCHEMBL29229791 0.78 GRIN2B (0.36) GRIN1GRIN2BGPR88
SCHEMBL21834315 0.76 MAOB (0.40) GRIN1GRIN2B
SCHEMBL29229812 0.72 GPR88 (0.49) GPR88
SCHEMBL29229789 0.72 GRIN2B (0.35) GRIN1GRIN2B
SCHEMBL29229797 0.71 GRIN1 (0.33) GRIN1GRIN2BGPR88
SCHEMBL21834252 0.70 GRIN1 (0.43) GRIN1GRIN2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113272285-B Oxadiazole-containing compound and pharmaceutical composition containing same 爱思开生物制药株式会社 2024-06-07 — — CN claimed
CN-113272285-B Oxadiazole-containing compound and pharmaceutical composition containing same 爱思开生物制药株式会社 2024-06-07 — — CN disclosed
Send feedback