SCHEMBL28709456

SCHEMBL28709456

Cn1cccc1C(=O)CCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.54
▸ MMP12 P39900 1/20 0.53
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ CES1 P23141 2/20 0.48
▸ NAAA Q02083 1/20 0.48
▸ MAOB P27338 1/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.43

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
SCHEMBL28713425 0.91 NPC1 (0.61) FFAR1NPC1RAB9AMAOB
SCHEMBL28700880 0.85 NPC1 (0.48) FFAR1NPC1RAB9AMAOB
SCHEMBL28703131 0.85 NPC1 (0.48) NPC1RAB9AMAOB
SCHEMBL28711497 0.84 NPC1 (0.47) FFAR1NPC1RAB9AMAOB
SCHEMBL28711503 0.84 RAB9A (0.47) FFAR1NPC1RAB9AMAOBFFAR4
SCHEMBL28711559 0.84 NPC1 (0.64) NPC1RAB9AMAOB
SCHEMBL28709453 0.82 F2RL1 (0.54) FFAR1NPC1RAB9A
SCHEMBL28715747 0.81 RAB9A (0.48) NPC1RAB9AMAOB
SCHEMBL28715749 0.81 CYP1A2 (0.48) NPC1RAB9AMAOB
SCHEMBL28711502 0.80 CYP1A2 (0.49) FFAR1NPC1RAB9AMAOB

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-114213307-A Preparation method of N-alkyl substituted pyrrolidone compound 河南农业大学 2022-03-22 — — CN disclosed
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