SCHEMBL19670341

SCHEMBL19670341

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.37
▸ TRPV1 Q8NER1 4/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ UCHL1 P09936 1/20 0.36
▸ MTOR P42345 2/20 0.36
▸ KMO O15229 1/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TRPV3 Q8NET8 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ UBE2M P61081 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 0.83 TRPA1 (0.38) KDM1AMTORKMOCNR2LMNA
SCHEMBL19670209 0.83 CNR2 (0.36) KDM1AMTORCNR2LMNACHRM5
SCHEMBL17618384 0.82 USP2 (0.40) KDM1ATRPV1KCNH2UCHL1KMO
SCHEMBL16775856 0.82 TRPV1 (0.39) KDM1ATRPV1KCNH2UCHL1KMO
SCHEMBL19670579 0.81 TRPA1 (0.36) KDM1ATRPV1CHRM5MEN1KMT2A
SCHEMBL19670179 0.81 HTR2C (0.46) TRPV1TSHRMEN1KMT2AUBE2M
SCHEMBL19670221 0.81 UBE2M (0.37) KDM1AMTORPOLBMEN1KMT2A
SCHEMBL19670141 0.81 SCN9A (0.37) KDM1ATRPV1POLBLMNATSHR
SCHEMBL19670135 0.80 MEN1 (0.41) KDM1ATRPV1KMOLMNATSHR
SCHEMBL19670412 0.80 POLB (0.37) KDM1ACNR2POLBMEN1KMT2A

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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