SCHEMBL4200262

SCHEMBL4200262

NCCN1CCN(C(=O)c2cc(Cl)ccc2NC(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
RAB9A P51151 1/20 0.56
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
BACE1 P56817 7/20 0.50
ALDH1A1 P00352 2/20 0.46
GFER P55789 1/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
DRD4 P21917 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
SCHEMBL4204512 0.90 HTT (0.55) MEN1KMT2ARAB9ACNR1CNR2
SCHEMBL5226149 0.88 MEN1 (0.55) MEN1KMT2ARAB9ACNR1CNR2
SCHEMBL4186581 0.85 CNR1 (0.62) MEN1KMT2ARAB9ACNR1CNR2
SCHEMBL5223032 0.85 CNR1 (0.60) MEN1KMT2ARAB9ACNR1CNR2
SCHEMBL4192268 0.77 CNR1 (0.58) MEN1KMT2ARAB9ACNR1CNR2
SCHEMBL4194283 0.77 CNR1 (0.62) MEN1KMT2ARAB9ACNR1CNR2
SCHEMBL5258790 0.76 HTT (0.70) MEN1KMT2ARAB9ACNR1CNR2
SCHEMBL4191608 0.76 CNR1 (0.59) MEN1KMT2ARAB9ACNR1CNR2
SCHEMBL1308410 0.75 GFER (0.76) MEN1KMT2ARAB9ACNR1CNR2
SCHEMBL5261323 0.75 HTT (0.62) MEN1KMT2ACNR1CNR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756044-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2007-02-28 EP claimed
WO-2005115972-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2005-12-08 WO claimed
EP-1756044-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005115972-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2005-12-08 WO disclosed