SCHEMBL3149553

SCHEMBL3149553

CCOC(=O)Oc1ccc2c(c1)CC2CN(C)CCC(=O)N1CCc2cc(OC)c(OC)cc2CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
SLC6A4 P31645 1/20 0.46
DRD3 P35462 1/20 0.46
KCNH2 Q12809 1/20 0.46
HCN4 Q9Y3Q4 1/20 0.46
MAPT P10636 4/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ABCB1 P08183 2/20 0.38
ABCC1 P33527 1/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.36

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 SCHEMBL4244389 0.99 KMT2A (0.47) KMT2ACHRM2HTR1ASLC6A4DRD3
SCHEMBL3157351 0.93 KMT2A (0.47) KMT2ACHRM2HTR1ASLC6A4DRD3
Hydrochloric Acid SCHEMBL4254392 0.92 KMT2A (0.47) KMT2ACHRM2HTR1ASLC6A4DRD3
SCHEMBL3153786 0.89 CHRM2 (0.48) KMT2ACHRM2HTR1ASLC6A4DRD3
SCHEMBL4250522 0.88 KMT2A (0.41) KMT2ACHRM2HTR1ASLC6A4DRD3
SCHEMBL3143069 0.88 CHRM2 (0.46) KMT2ACHRM2HTR1ASLC6A4DRD3
Hydrochloric Acid SCHEMBL4242663 0.88 CHRM2 (0.47) KMT2ACHRM2HTR1ASLC6A4DRD3
Hydrochloric Acid SCHEMBL4247826 0.87 CHRM2 (0.45) KMT2ACHRM2HTR1ASLC6A4DRD3
SCHEMBL3155094 0.87 CHRM2 (0.47) KMT2ACHRM2HTR1ASLC6A4DRD3
SCHEMBL3155003 0.87 CHRM2 (0.47) KMT2ACHRM2HTR1ASLC6A4DRD3

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