SCHEMBL19670181

SCHEMBL19670181

CCN1CC[C@@H](C)N(C(=O)Nc2cnc(OC[C@H](O)CO)cn2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 10/20 0.35
▸ KDM1A O60341 4/20 0.34
▸ MAOA P21397 3/20 0.34
▸ MAOB P27338 3/20 0.34
▸ CHRM2 P08172 2/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ BRAF P15056 4/20 0.32
▸ MTOR P42345 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ TRPV3 Q8NET8 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
SCHEMBL19365594 0.92 RAF1 (0.35) RAF1KDM1AMAOAMAOBCHRM2
SCHEMBL19670397 0.88 RAF1 (0.36) RAF1KDM1AMAOAMAOBCHRM2
SCHEMBL17624555 0.85 KDM1A (0.35) RAF1KDM1AMAOAMAOBCHRM2
SCHEMBL19670310 0.82 FAAH (0.38) BRAFMTORCA2CA9
SCHEMBL19670122 0.82 GRM5 (0.34) RAF1BRAFTRPV1TRPV3
SCHEMBL19670214 0.81 TRPA1 (0.38) RAF1KDM1AMAOAMAOBCHRM1
SCHEMBL19670579 0.80 TRPA1 (0.36) RAF1KDM1AMAOAMAOBCHRM1
SCHEMBL19365513 0.80 PRMT5 (0.41) —
SCHEMBL19365256 0.80 RAF1 (0.37) RAF1KDM1AMAOAMAOBCHRM2
SCHEMBL19670575 0.80 EGFR (0.32) TRPV3

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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