SCHEMBL4186581

SCHEMBL4186581

O=C(Nc1ccc(Cl)cc1C(=O)N1CCCCCC1)c1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.62
CNR2 P34972 1/20 0.62
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
RAB9A P51151 1/20 0.61
LMNA P02545 4/20 0.58
POLB P06746 1/20 0.51
GFER P55789 1/20 0.51
NPSR1 Q6W5P4 2/20 0.51
BACE1 P56817 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
SERPINE1 P05121 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
F10 P00742 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL4192268 0.87 CNR1 (0.58) CNR1CNR2KMT2AMEN1RAB9A
SCHEMBL5226149 0.86 MEN1 (0.55) CNR1CNR2KMT2AMEN1RAB9A
SCHEMBL5223032 0.85 CNR1 (0.60) CNR1CNR2KMT2AMEN1RAB9A
SCHEMBL4200262 0.85 MEN1 (0.56) CNR1CNR2KMT2AMEN1RAB9A
SCHEMBL4194283 0.84 CNR1 (0.62) CNR1CNR2KMT2AMEN1RAB9A
SCHEMBL4204512 0.84 HTT (0.55) CNR1CNR2KMT2AMEN1RAB9A
SCHEMBL4197464 0.81 CNR1 (0.61) CNR1CNR2KMT2AMEN1RAB9A
SCHEMBL1308410 0.81 GFER (0.76) CNR1CNR2KMT2AMEN1RAB9A
SCHEMBL4199317 0.79 CNR1 (0.73) CNR1CNR2KMT2AMEN1RAB9A
SCHEMBL25247976 0.78 ALDH1A1 (0.66) KMT2AMEN1LMNAPOLBSMN1; SMN2

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