SCHEMBL3158190

SCHEMBL3158190

COc1cc2c(cc1OC)CCN(C(=O)CCN(C)CC1Cc3cc(OC(=O)N4CCOCC4)ccc31)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
SLC6A4 P31645 1/20 0.45
DRD3 P35462 1/20 0.45
KCNH2 Q12809 1/20 0.45
HCN4 Q9Y3Q4 1/20 0.45
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 3/20 0.39
MEN1 O00255 2/20 0.39
FKBP1A P62942 1/20 0.39
USP2 O75604 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
Hydrochloric Acid SCHEMBL4242672 0.99 SMN1; SMN2 (0.45) SMN1; SMN2CHRM2HTR1ASLC6A4DRD3
SCHEMBL3155003 0.93 CHRM2 (0.47) SMN1; SMN2CHRM2HTR1ASLC6A4DRD3
Hydrochloric Acid SCHEMBL4253244 0.92 CHRM2 (0.46) SMN1; SMN2CHRM2HTR1ASLC6A4DRD3
SCHEMBL3153786 0.87 CHRM2 (0.48) SMN1; SMN2CHRM2HTR1ASLC6A4DRD3
SCHEMBL3163299 0.87 CHRM2 (0.44) SMN1; SMN2CHRM2HTR1ASLC6A4DRD3
Hydrochloric Acid SCHEMBL4242663 0.86 CHRM2 (0.47) SMN1; SMN2CHRM2HTR1ASLC6A4DRD3
SCHEMBL3155094 0.86 CHRM2 (0.47) SMN1; SMN2CHRM2HTR1ASLC6A4DRD3
SCHEMBL3267375 0.85 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AGAAHTTNPSR1
SCHEMBL3149553 0.85 KMT2A (0.47) SMN1; SMN2CHRM2HTR1ASLC6A4DRD3
SCHEMBL3143069 0.85 CHRM2 (0.46) SMN1; SMN2CHRM2HTR1ASLC6A4DRD3

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-2036892-B1 1,2,4,5-tetrahydro-3H-benzazepine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2010-03-10 EP disclosed
EP-2036892-A1 1,2,4,5-tetrahydro-3H-benzazepine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2009-03-18 EP disclosed