SCHEMBL25890475

SCHEMBL25890475

C=C1CC2CCC(C1)N2Sc1ccc(C(F)(F)F)nc1C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ CXCR4 P61073 1/20 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
SCHEMBL26026780 0.74 SCN9A (0.32) —
SCHEMBL25892808 0.72 — —
SCHEMBL25892125 0.72 PTGS2 (0.37) KDM4ECXCR4
SCHEMBL27345792 0.71 KDM4E (0.33) KDM4ECXCR4
SCHEMBL25892173 0.71 IRAK4 (0.34) —
SCHEMBL25890515 0.69 TRPV1 (0.33) —
SCHEMBL22924540 0.67 KDM4E (0.50) KDM4ECXCR4
SCHEMBL27346362 0.67 KCNH2 (0.32) KDM4ECXCR4
SCHEMBL26065735 0.65 HTR2A (0.33) HTR2AHTR2CHTR2BKDM4ECXCR4
SCHEMBL26027941 0.62 KDM4E (0.31) KDM4ECXCR4

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-2023141323-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-07-27 — — WO disclosed
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