SCHEMBL7369230

SCHEMBL7369230

CCCNC(=O)c1cc2c(N(CC)CC)c(N3CCC(Cc4ccccc4)CC3)[nH]c2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ACHE P22303 4/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
BACE1 P56817 1/20 0.43
MAPK14 Q16539 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CCR3 P51677 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL7379172 0.89 SLC6A2 (0.41) ACHELMNASMN1; SMN2MAPK14CYP2C9
SCHEMBL7375682 0.77 MEN1 (0.50) MEN1KMT2AACHELMNASMN1; SMN2
SCHEMBL5369143 0.77 MEN1 (0.51) MEN1KMT2A
SCHEMBL5365936 0.76 DRD2 (0.47) MEN1KMT2AACHELMNASMN1; SMN2
SCHEMBL5365942 0.76 MEN1 (0.50) MEN1KMT2AACHEMAPK14CYP2C9
SCHEMBL5205297 0.75 MEN1 (0.52) MEN1KMT2AMAPK14CYP2C9CYP2C19
SCHEMBL1079888 0.73 MAPK14 (0.63) MEN1KMT2AACHELMNASMN1; SMN2
SCHEMBL20883165 0.69 MAPK14 (0.61) MEN1KMT2AMAPK14CYP2C9CYP2C19
SCHEMBL3492151 0.68 MAPK14 (0.68) MEN1KMT2AMAPK14CYP2C9CYP2C19
SCHEMBL5206748 0.68 MAPK14 (0.50) MEN1KMT2AMAPK14CYP2C9CYP2C19

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-1080078-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 2001-03-07 EP disclosed
WO-1999061426-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 1999-12-02 WO disclosed