SCHEMBL19670537

SCHEMBL19670537

O=C(Nc1cccc(CN2CCOCC2)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.51
▸ THRB P10828 1/20 0.46
▸ RHOA P61586 1/20 0.46
▸ FAAH O00519 2/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ UBE2M P61081 5/20 0.42
▸ DCUN1D1 Q96GG9 5/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TRPV4 Q9HBA0 3/20 0.42
▸ ACKR3 P25106 1/20 0.41
▸ ALK Q9UM73 1/20 0.41

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
SCHEMBL19365834 1.00 CNR2 (0.51) CNR2THRBRHOAFAAHCNR1
SCHEMBL19670497 0.88 MAPT (0.45) LMNA
SCHEMBL17618795 0.87 CNR2 (0.49) CNR2THRBRHOAFAAHCNR1
SCHEMBL19706080 0.84 CNR2 (0.51) CNR2THRBRHOAFAAHCNR1
SCHEMBL19670281 0.84 LMNA (0.47) CNR2LMNATRPV4
SCHEMBL19670299 0.83 FYN (0.43) LMNA
SCHEMBL19365865 0.80 TSHR (0.36) FAAH
SCHEMBL19670466 0.80 CA2 (0.41) THRBCNR1LMNA
SCHEMBL19365574 0.80 CA2 (0.41) THRBCNR1LMNA
SCHEMBL19865068 0.79 CHRM3 (0.46) CNR2FAAHCNR1UBE2MDCUN1D1

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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