SCHEMBL31062192

SCHEMBL31062192

COC(=O)Cc1cccc(-c2cc(F)cc(F)c2)c1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ CHRM3 P20309 3/20 0.38
▸ CFD P00746 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PDK2 Q15119 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ DHODH Q02127 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ AOC3 Q16853 1/20 0.36
▸ SLC7A5 Q01650 1/20 0.35

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
SCHEMBL31062479 0.84 HSP90AB1 (0.38) KDM4ECHRM3MTNR1AMTNR1B
SCHEMBL31062441 0.82 SUCNR1 (0.44) KDM4ECFDSMN1; SMN2
SCHEMBL31062262 0.82 CHRM3 (0.41) KDM4ECHRM3CFDSLC6A3
SCHEMBL506923 0.77 SMN1; SMN2 (0.46) KDM4ESMN1; SMN2
SCHEMBL2972991 0.75 MEP1B (0.48) KDM4ESMN1; SMN2
SCHEMBL13726819 0.75 NR4A2 (0.43) PDK2CD274
SCHEMBL30609912 0.75 NR4A2 (0.43) PDK2CD274
SCHEMBL13824067 0.75 SLC6A3 (0.56) KDM4ESMN1; SMN2PDK2DHODHSLC6A4
SCHEMBL18261999 0.74 KDM4E (0.43) KDM4ECFDSMN1; SMN2MTNR1AMTNR1B
SCHEMBL31284578 0.74 KDM4E (0.43) KDM4ECFDSMN1; SMN2SLC7A5

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-2024168004-A1 BIARYL AMIDE-CONTAINING AGONISTS OF OREXIN RECEPTOR TYPE 2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-08-15 — — WO disclosed
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