SCHEMBL19670209

SCHEMBL19670209

CCN1CC[C@@H](C)N(C(=O)Nc2c(C(C)C)cccc2C(C)C)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.36
▸ CTSA P10619 1/20 0.36
▸ TRPV3 Q8NET8 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ UBE2M P61081 1/20 0.35
▸ DCUN1D1 Q96GG9 1/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KDM1A O60341 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ RAF1 P04049 3/20 0.34
▸ BRAF P15056 3/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ MAOA P21397 1/20 0.34

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
SCHEMBL19670214 0.90 TRPA1 (0.38) CNR2TRPV3MEN1KMT2AUBE2M
SCHEMBL19670221 0.87 UBE2M (0.37) CTSATRPV3MEN1KMT2AUBE2M
SCHEMBL19670579 0.84 TRPA1 (0.36) TRPV3MEN1KMT2AUBE2MDCUN1D1
SCHEMBL19670179 0.84 HTR2C (0.46) MEN1KMT2AUBE2MDCUN1D1BRAF
SCHEMBL19670141 0.84 SCN9A (0.37) MEN1KMT2AUBE2MDCUN1D1ADORA2A
SCHEMBL19670135 0.83 MEN1 (0.41) MEN1KMT2AUBE2MDCUN1D1ADORA2A
SCHEMBL19670412 0.83 POLB (0.37) CNR2TRPV3MEN1KMT2AUBE2M
SCHEMBL19670341 0.83 KDM1A (0.37) CNR2TRPV3MEN1KMT2AUBE2M
SCHEMBL19670140 0.83 TRPV1 (0.37) ADORA2AMAPTRAF1BRAFCA2
SCHEMBL19670425 0.83 KMT2A (0.39) TRPV3MEN1KMT2AUBE2MDCUN1D1

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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