SCHEMBL19670214

SCHEMBL19670214

CCc1cccc(CC)c1NC(=O)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N(CC)CC[C@H]1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.38
▸ TRPV3 Q8NET8 1/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.38
▸ MTOR P42345 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ UBE2M P61081 2/20 0.36
▸ DCUN1D1 Q96GG9 2/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ KDM1A O60341 3/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ JAK2 O60674 1/20 0.35

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
SCHEMBL19670221 0.95 UBE2M (0.37) TRPA1TRPV3TRPV4MTORMEN1
SCHEMBL19365368 0.91 TRPA1 (0.38) TRPA1TRPV3TRPV4MTORMEN1
SCHEMBL19670209 0.90 CNR2 (0.36) TRPV3MTORMEN1KMT2AUBE2M
SCHEMBL19670579 0.86 TRPA1 (0.36) TRPA1TRPV3TRPV4MEN1KMT2A
SCHEMBL19670179 0.86 HTR2C (0.46) MEN1KMT2AUBE2MDCUN1D1BRAF
SCHEMBL19670141 0.86 SCN9A (0.37) MEN1KMT2AUBE2MDCUN1D1ADORA2A
SCHEMBL19670412 0.85 POLB (0.37) TRPA1TRPV3TRPV4MEN1KMT2A
SCHEMBL19670135 0.85 MEN1 (0.41) MEN1KMT2AUBE2MDCUN1D1ADORA2A
SCHEMBL19670140 0.85 TRPV1 (0.37) MTORADORA2ACA2CA9MAPT
SCHEMBL19670644 0.85 HSD17B10 (0.37) 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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