SCHEMBL5503886

SCHEMBL5503886

N#Cc1cc(O)c2c(c1)Sc1ccccc1N2C1CCN(Cc2ccccn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.41
PGR P06401 2/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
ACHE P22303 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39

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
SCHEMBL5502776 0.86 L3MBTL1 (0.42) CHRM1L3MBTL1HRH3KDM4ESMN1; SMN2
SCHEMBL5112122 0.86 CHRM1 (0.46) CHRM1PGRLMNACHRM2HTR1A
SCHEMBL5513194 0.85 L3MBTL1 (0.46) CHRM1L3MBTL1HRH3KDM4ESMN1; SMN2
SCHEMBL5507817 0.81 L3MBTL1 (0.51) L3MBTL1HRH3KDM4ESMN1; SMN2TRPV6
SCHEMBL5508467 0.81 CHRM2 (0.43) CHRM1PGRLMNACHRM2HTR1A
SCHEMBL5507708 0.79 LMNA (0.40) CHRM1PGRLMNACHRM2HTR1A
SCHEMBL5118837 0.75 L3MBTL1 (0.43) KCNH2L3MBTL1HRH3KDM4ESMN1; SMN2
SCHEMBL5112936 0.71 DRD2 (0.40) MAPK1L3MBTL1HRH3KDM4ESMN1; SMN2
SCHEMBL5112751 0.71 HRH3 (0.45) MAPK1L3MBTL1HRH3KDM4ESMN1; SMN2
SCHEMBL5114019 0.69 HRH3 (0.38) MAPK1L3MBTL1HRH3KDM4ESMN1; 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-1846400-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 EP disclosed
WO-2006074388-A2 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO disclosed