SCHEMBL19365594

SCHEMBL19365594

C[C@@H]1CCN(C)c2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1cnc(OC[C@H](O)CO)cn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 5/20 0.35
▸ KDM1A O60341 4/20 0.34
▸ MAOA P21397 3/20 0.34
▸ MAOB P27338 3/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ CHRM2 P08172 3/20 0.33
▸ MTOR P42345 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ GPR52 Q9Y2T5 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ RORC P51449 2/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ TRPV3 Q8NET8 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
SCHEMBL19670181 0.92 RAF1 (0.35) RAF1KDM1AMAOAMAOBCHRM2
SCHEMBL19365256 0.87 RAF1 (0.37) RAF1KDM1AMAOAMAOBSCN9A
SCHEMBL17624555 0.86 KDM1A (0.35) RAF1KDM1AMAOAMAOBCHRM2
SCHEMBL19670246 0.82 SCN9A (0.39) KDM1AMAOAMAOBSCN9AMTOR
SCHEMBL19670234 0.82 FGFR4 (0.35) —
SCHEMBL19365368 0.80 TRPA1 (0.38) KDM1AMAOAMAOBMTORCA2
SCHEMBL19670397 0.80 RAF1 (0.36) RAF1KDM1AMAOAMAOBCHRM2
SCHEMBL19670418 0.79 MPL (0.42) KDM1AMAOAMAOBSCN9ACA2
SCHEMBL19670156 0.79 PRMT5 (0.40) —
SCHEMBL19365596 0.79 ADORA2A (0.39) KDM1AMAOAMAOBCA2CA9

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
Send feedback