SCHEMBL495955

SCHEMBL495955

CC(C)(C)N(C(=O)O)[C@@H]1CCCC[C@H]1Nc1cc(Cl)c(Cl)cc1C#N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSK P43235 1/20 0.33
SCN9A Q15858 12/20 0.33
CHEK1 O14757 1/20 0.32
RPS6KA3 P51812 1/20 0.32
SRPK1 Q96SB4 1/20 0.32
PGR P06401 2/20 0.31
NR3C2 P08235 1/20 0.31
AR P10275 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
CISD1 Q9NZ45 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31

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
SCHEMBL496358 0.94 CHEK1 (0.36) MEN1ALDH1A1KMT2ASCN9ACHEK1
SCHEMBL495857 0.92 MEN1 (0.31) MEN1ALDH1A1KMT2ASCN9ACHEK1
SCHEMBL496465 0.87 MEN1 (0.41) MEN1ALDH1A1KMT2APGRNR3C2
SCHEMBL495888 0.87 MEN1 (0.41) MEN1ALDH1A1KMT2APGRNR3C2
SCHEMBL4368419 0.77 FER (0.36) MEN1KMT2ACTSKCHEK1RPS6KA3
SCHEMBL496194 0.74 CHEK1 (0.40) ALDH1A1CHEK1RPS6KA3SRPK1PGR
SCHEMBL14976231 0.73 JAK3 (0.42) CHEK1RPS6KA3SRPK1IRAK4
SCHEMBL14638383 0.71 AR (0.45) PGRNR3C2ARCYP2D6CYP2C9
SCHEMBL17745697 0.71 JAK2 (0.33) ARIRAK4
SCHEMBL496442 0.68 FER (0.34) MEN1KMT2ACHEK1RPS6KA3SRPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1955697-B1 2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 EP disclosed