SCHEMBL19670281

SCHEMBL19670281

O=C(NCCN1CCOCC1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ CD274 Q9NZQ7 1/20 0.43
▸ CNR2 P34972 5/20 0.43
▸ KCNH2 Q12809 2/20 0.42
▸ CTSK P43235 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ TRPV4 Q9HBA0 2/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ BRAF P15056 1/20 0.40

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
SCHEMBL17618794 0.86 LMNA (0.43) LMNACD274CNR2KCNH2CTSK
SCHEMBL19670440 0.85 CA12 (0.42) CNR2TRPV4TSHR
SCHEMBL19670537 0.84 CNR2 (0.51) LMNACNR2TRPV4
SCHEMBL19365834 0.84 CNR2 (0.51) LMNACNR2TRPV4
SCHEMBL19670297 0.83 ASAH1 (0.41) CTSKTRPV4DRD2EPHX2
SCHEMBL19670650 0.82 ASAH1 (0.44) CNR2TRPV4DRD2
SCHEMBL19365629 0.82 CHRM4 (0.41) KCNH2CTSK
SCHEMBL17618787 0.82 SMN1; SMN2 (0.45) CNR2KCNH2CTSKTRPV4DRD2
SCHEMBL19670437 0.82 MAPK1 (0.42) LMNA
SCHEMBL19670497 0.81 MAPT (0.45) LMNAEPHX2TSHRRECQLSMN1; SMN2

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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