SCHEMBL22239854

SCHEMBL22239854

C=C(NC(CC)C(F)(F)F)c1ccc2c(n1)N(c1ccccn1)[C@H]1CCN2C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHI3L1 P36222 13/20 0.33
▸ CHIA Q9BZP6 6/20 0.33
▸ CHIT1 Q13231 5/20 0.33
▸ KCNH2 Q12809 5/20 0.33
▸ CHI3L2 Q15782 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE7A Q13946 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
SCHEMBL22239724 0.84 TRPV1 (0.31) CNR1CNR2
SCHEMBL19714486 0.76 CNR2 (0.38) CNR1CNR2
SCHEMBL19713805 0.76 CNR2 (0.38) CNR1CNR2
SCHEMBL19736435 0.76 CNR2 (0.38) CNR1CNR2
SCHEMBL19714367 0.76 CNR2 (0.38) CNR1CNR2
SCHEMBL22240222 0.74 USP30 (0.41) CHI3L1CHIACHIT1KCNH2CHI3L2
SCHEMBL22240289 0.74 LPL (0.35) CNR1CNR2
SCHEMBL22240292 0.73 MEN1 (0.32) CNR1CNR2
SCHEMBL22240215 0.72 NOS2 (0.32) —
SCHEMBL22239961 0.72 AXL (0.31) —

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-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
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