SCHEMBL25269574

SCHEMBL25269574

CCCNCCc1cnc(C(F)(F)F)nc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.35
▸ HRH4 Q9H3N8 2/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ S1PR2 O95136 1/20 0.31
▸ S1PR4 O95977 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ S1PR3 Q99500 1/20 0.31
▸ MPO P05164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL469205 0.81 NPC1 (0.37) L3MBTL1
SCHEMBL27602440 0.78 RAB9A (0.44) HRH3L3MBTL1
SCHEMBL12266204 0.73 RXRA (0.34) L3MBTL1
SCHEMBL12229307 0.72 NFKB1 (0.40) SIGMAR1S1PR2S1PR4S1PR1S1PR3
SCHEMBL1120487 0.70 TDP1 (0.34) —
SCHEMBL1923390 0.70 KDM4E (0.33) —
SCHEMBL1923569 0.70 TKT (0.38) —
SCHEMBL12197953 0.69 TRPV3 (0.32) TLR7
Hydrochloric Acid SCHEMBL3662255 0.68 TAAR1 (0.45) HRH4
SCHEMBL19773456 0.68 VNN1 (0.36) —

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
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 — — WO disclosed
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 — — WO disclosed
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