SCHEMBL23618010

SCHEMBL23618010

COCCCn1/c(=N/C(=O)c2cccc(C(F)(F)F)c2)[nH]c2cc(N3CCNCC3=O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.41
▸ CNR1 P21554 4/20 0.41
▸ MAPT P10636 3/20 0.37
▸ TRPV4 Q9HBA0 4/20 0.36
▸ LMNA P02545 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ TP53 P04637 1/20 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
SCHEMBL18630792 0.93 CNR2 (0.37) CNR2CNR1MAPT
SCHEMBL18630790 0.93 CNR2 (0.37) CNR2CNR1MAPT
SCHEMBL18631189 0.91 CNR2 (0.38) CNR2CNR1MAPTLMNATP53
SCHEMBL18631188 0.91 CNR2 (0.38) CNR2CNR1MAPTLMNATP53
SCHEMBL23618009 0.88 KDM4E (0.33) CNR2MAPT
SCHEMBL18650882 0.81 — —
SCHEMBL18650851 0.81 CNR2 (0.40) CNR2CNR1TRPV4
SCHEMBL18631271 0.81 CNR2 (0.38) CNR2CNR1MAPT
SCHEMBL18641975 0.81 CNR2 (0.37) CNR2CNR1MAPTLMNATP53
SCHEMBL18631272 0.81 CNR2 (0.38) CNR2CNR1MAPT

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
EP-3350177-B1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-07-07 — — EP disclosed
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