SCHEMBL8306843

SCHEMBL8306843

CCCCOC(=O)N1CCN(C(=O)N2CCC(c3ccncc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.46
HRH1 P35367 2/20 0.46
LMNA P02545 3/20 0.46
HRH3 Q9Y5N1 3/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRM4 P08173 1/20 0.43
KCNH2 Q12809 1/20 0.43
FAAH O00519 1/20 0.42
PDE4B Q07343 1/20 0.41
NOS2 P35228 3/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
GRM5 P41594 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
NOS3 P29474 2/20 0.40

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
SCHEMBL8922008 0.83 CHRM4 (0.59) LMNAHRH3POLBSMN1; SMN2CHRM4
SCHEMBL30376364 0.81 LMNA (0.49) HRH2HRH1LMNAPOLBSMN1; SMN2
SCHEMBL9172873 0.80 CHRM4 (0.47) HRH2HRH1LMNAPOLBSMN1; SMN2
SCHEMBL21996849 0.79 NAMPT (0.50) HRH2HRH1LMNAPOLBSMN1; SMN2
SCHEMBL4969308 0.79 LMNA (0.46) HRH2HRH1LMNAPOLBSMN1; SMN2
SCHEMBL6950631 0.78 GPR119 (0.53) LMNA
SCHEMBL9174231 0.78 HRH1 (0.51) HRH2HRH1LMNAHRH3POLB
SCHEMBL4562521 0.77 KDM4E (0.45) LMNAHRH3SMN1; SMN2KCNH2
SCHEMBL15950973 0.77 CHRM2 (0.60) LMNASMN1; SMN2CHRM4NOS2CHRM2
SCHEMBL2451330 0.76 LMNA (0.41) HRH2HRH1LMNAPOLBSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966462-A1 HETEROCYCLIC COMPOUNDS USEFUL AS OXIDO-SQUALENE CYCLASE INHIBITORS ZENECA LIMITED (GB) 1999-12-29 EP disclosed
WO-1998035959-A1 HETEROCYCLIC COMPOUNDS USEFUL AS OXIDO-SQUALENE CYCLASE INHIBITORS ZENECA LIMITED (GB) 1998-08-20 WO disclosed