SCHEMBL28665241

SCHEMBL28665241

O=C(Nc1ccc2c(c1)OCO2)c1ccccc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 17/20 0.76
▸ RXFP2 Q8WXD0 1/20 0.76
▸ TOP1 P11387 1/20 0.61
▸ PTGS2 P35354 1/20 0.61
▸ CCR2 P41597 1/20 0.59
▸ NPC1 O15118 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ RAB9A P51151 1/20 0.58

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
SCHEMBL16670090 0.87 RXFP1 (1.00) RXFP1RXFP2CCR2
SCHEMBL15528884 0.87 RXFP1 (1.00) RXFP1
SCHEMBL27179950 0.83 RXFP1 (0.65) RXFP1RXFP2TOP1PTGS2NPC1
SCHEMBL30926915 0.83 RXFP1 (0.65) RXFP1RXFP2TOP1PTGS2NPC1
SCHEMBL15529210 0.83 RXFP1 (1.00) RXFP1
SCHEMBL10220635 0.82 CCR2 (0.74) RXFP1RXFP2CCR2NPC1MAPT
SCHEMBL28681534 0.81 RXFP1 (0.83) RXFP1
SCHEMBL13265954 0.80 TOP1 (0.65) RXFP1TOP1PTGS2NPC1MAPT
SCHEMBL28665402 0.79 RXFP1 (0.80) RXFP1TOP1PTGS2
SCHEMBL18893297 0.78 RXFP1 (0.82) RXFP1

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-113651768-A N-aryl anthranilamide compound and preparation and application thereof 南华大学 2021-11-16 — — CN disclosed
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