SCHEMBL5223032

SCHEMBL5223032

NCC1CCN(C(=O)c2cc(Cl)ccc2NC(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.60
CNR2 P34972 1/20 0.60
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
RAB9A P51151 1/20 0.53
DRD4 P21917 2/20 0.46
GFER P55789 1/20 0.45
LMNA P02545 2/20 0.45
PRSS12 P56730 2/20 0.44
BACE1 P56817 1/20 0.44
SERPINE1 P05121 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HIF1A Q16665 1/20 0.43
IRAK1 P51617 2/20 0.43
IRAK4 Q9NWZ3 2/20 0.43
HTR2C P28335 2/20 0.43
SYK P43405 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
SCHEMBL4186581 0.85 CNR1 (0.62) CNR1CNR2MEN1KMT2ARAB9A
SCHEMBL4200262 0.85 MEN1 (0.56) CNR1CNR2MEN1KMT2ARAB9A
SCHEMBL5226149 0.82 MEN1 (0.55) CNR1CNR2MEN1KMT2ARAB9A
SCHEMBL4194283 0.82 CNR1 (0.62) CNR1CNR2MEN1KMT2ARAB9A
SCHEMBL4192268 0.81 CNR1 (0.58) CNR1CNR2MEN1KMT2ARAB9A
SCHEMBL4204512 0.80 HTT (0.55) CNR1CNR2MEN1KMT2ARAB9A
SCHEMBL4194303 0.78 CNR1 (0.90) CNR1CNR2MEN1KMT2ARAB9A
SCHEMBL4197464 0.75 CNR1 (0.61) CNR1CNR2MEN1KMT2ARAB9A
SCHEMBL4190780 0.75 CNR1 (1.00) CNR1CNR2MEN1KMT2ARAB9A
SCHEMBL1308410 0.75 GFER (0.76) CNR1CNR2MEN1KMT2ARAB9A

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