SCHEMBL24547910

SCHEMBL24547910

C[C@H]1COC[C@@H](c2ccc(C(F)(F)F)nc2)N1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.38
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ HDAC4 P56524 1/20 0.35
▸ SLC40A1 Q9NP59 1/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ DRD3 P35462 2/20 0.33

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
SCHEMBL24540924 1.00 TRPV4 (0.38) TRPV4CHRNB2CHRNA4HRH3HDAC4
SCHEMBL24540925 1.00 TRPV4 (0.38) TRPV4CHRNB2CHRNA4HRH3HDAC4
SCHEMBL31043203 1.00 TRPV4 (0.38) TRPV4CHRNB2CHRNA4HRH3HDAC4
SCHEMBL24541092 0.80 P2RX3 (0.31) SLC6A3
SCHEMBL24541093 0.80 P2RX3 (0.31) SLC6A3
SCHEMBL24547906 0.80 P2RX3 (0.31) SLC6A3
SCHEMBL24540920 0.79 HTR2C (0.40) —
SCHEMBL23522762 0.79 HTR2C (0.40) —
SCHEMBL23522761 0.79 HTR2C (0.40) —
SCHEMBL24541182 0.78 CHRNB2 (0.43) CHRNB2CHRNA4

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
WO-2022132914-A1 PRMTS INHIBITORS AMGEN INC. (US) 2022-06-23 — — WO disclosed
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