SCHEMBL4590899

SCHEMBL4590899

CC(C)(C)[C@H]1CC[C@@H](NC(=O)c2ccc(-c3ncccc3Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 7/20 0.56
▸ RIPK1 Q13546 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PTGDR2 Q9Y5Y4 2/20 0.45
▸ MAPK14 Q16539 1/20 0.44
▸ TRPV4 Q9HBA0 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ CYP46A1 Q9Y6A2 1/20 0.43
▸ HPGDS O60760 3/20 0.43
▸ SMYD3 Q9H7B4 1/20 0.43

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
SCHEMBL4590988 1.00 TRPV1 (0.56) TRPV1RIPK1MEN1NPC1RAB9A
SCHEMBL4591089 1.00 TRPV1 (0.56) TRPV1RIPK1MEN1NPC1RAB9A
SCHEMBL14082150 0.91 MEN1 (0.56) TRPV1RIPK1MEN1NPC1RAB9A
SCHEMBL14083033 0.87 USP30 (0.45) TRPV1MAPK14SMYD3
SCHEMBL14082149 0.86 TRPV1 (0.54) TRPV1RIPK1MEN1NPC1RAB9A
SCHEMBL14082136 0.85 TRPV1 (0.53) TRPV1RIPK1MEN1NPC1RAB9A
SCHEMBL6364617 0.85 TRPV1 (0.58) TRPV1RIPK1MEN1NPC1RAB9A
SCHEMBL14082757 0.83 NTRK1 (0.46) TRPV1
SCHEMBL14082798 0.83 RORC (0.46) MAPK14HPGDS
SCHEMBL14082153 0.83 PIM1 (0.52) TRPV1RIPK1MEN1KMT2ATRPV4

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
EP-1664041-B1 PHENYL-CARBOXAMIDE COMPOUNDS USEFUL FOR TREATING PAIN EURO CELTIQUE SA (LU) 2008-07-02 — — EP claimed
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