SCHEMBL4191608

SCHEMBL4191608

O=C(NCCN1CCNCC1)c1cc(Cl)ccc1NC(=O)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.59
CNR2 P34972 1/20 0.59
HTT P42858 1/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
RAB9A P51151 1/20 0.53
BACE1 P56817 3/20 0.50
PPARG P37231 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SLC6A4 P31645 1/20 0.48
HPGD P15428 1/20 0.47
F10 P00742 1/20 0.47
DRD3 P35462 1/20 0.47
BCL3 P20749 3/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL5258790 0.89 HTT (0.70) CNR1CNR2HTTMEN1KMT2A
SCHEMBL5261323 0.83 HTT (0.62) CNR1CNR2HTTMEN1KMT2A
SCHEMBL17554058 0.81 HTT (0.59) HTTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL4191417 0.81 CNR1 (0.82) CNR1CNR2MEN1KMT2ARAB9A
SCHEMBL17554080 0.80 ALDH1A1 (0.59) HTTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL17554166 0.79 BCL3 (0.73) HTTMEN1KMT2APPARGALDH1A1
SCHEMBL5226089 0.78 CNR1 (0.63) CNR1CNR2MEN1KMT2ARAB9A
SCHEMBL10720014 0.78 HPGD (0.70) ALDH1A1SLC6A4HPGDDRD3GAA
SCHEMBL4190787 0.78 CNR1 (0.65) CNR1CNR2HTTMEN1KMT2A
SCHEMBL4194303 0.77 CNR1 (0.90) 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