SCHEMBL19670218

SCHEMBL19670218

CCN1CC[C@@H](C)N(C(=O)Nc2cccc3nnc(C)cc23)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.37
▸ PKM P14618 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ ACP1 P24666 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KDM1A O60341 2/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ MTOR P42345 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
SCHEMBL19670580 0.86 TRPV1 (0.43) MCHR1TRPV1ACP1KMT2AMEN1
SCHEMBL19670410 0.86 TRPV1 (0.43) MAPTADORA2AMCHR1TRPV1KMT2A
SCHEMBL19670141 0.85 SCN9A (0.37) KDM4EADORA2AMCHR1TRPV1KMT2A
SCHEMBL19670412 0.85 POLB (0.37) MAPTADORA2AMCHR1KMT2AMEN1
SCHEMBL17618413 0.84 MAPT (0.44) MAPTKDM4EPKMNPSR1RAB9A
SCHEMBL19670214 0.83 TRPA1 (0.38) MAPTADORA2AKMT2AMEN1ALDH1A1
SCHEMBL19670135 0.83 MEN1 (0.41) MAPTKDM4EADORA2AMCHR1TRPV1
SCHEMBL19670425 0.83 KMT2A (0.39) MAPTKDM4EADORA2AMCHR1KMT2A
SCHEMBL19670221 0.82 UBE2M (0.37) MAPTNPSR1ADORA2AKMT2AMEN1
SCHEMBL19670209 0.81 CNR2 (0.36) MAPTADORA2AKMT2AMEN1KDM1A

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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